A0A087XXV8_POEFO Loading...

Very long-chain specific acyl-CoA dehydrogenase, mitochondrial

Very long-chain specific acyl-CoA dehydrogenase is one of the acyl-CoA dehydrogenases that catalyze the first step of mitochondrial fatty acid beta-oxidation, an aerobic process breaking down fatty acids into acetyl-CoA and allowing the production of energy from fats. The first step of fatty acid beta-oxidation consists in the removal of one hydrogen from C-2 and C-3 of the straight-chain fatty acyl-CoA thioester, resulting in the formation of trans-2-enoyl-CoA. Among the different mitochondrial acyl-CoA dehydrogenases, very long-chain specific acyl-CoA dehydrogenase acts specifically on acyl-CoAs with saturated 12 to 24 carbons long primary chains.

AlphaFold DB , UniProt , Accession A0A087XXV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	27.3	Very low	232 Å²	232	153.6 Å²	153.6	100%	1.143	83%	0.832	S	S	*	*				0	111.5	0	-119.9	170.1	157.6	0	0	108.5
2	L	25.2	Very low	27.2	Very low	142 Å²	142	151.9 Å²	151.9	74%	0.743	83%	0.83	S	S	*	*			trans	42.7	111	149.2	-72.7	131.1	0	0	0	118.9
3	L	24.9	Very low	27.2	Very low	162 Å²	162	150.4 Å²	150.4	85%	0.848	83%	0.834	S	S	*	*				53.6	136.2	63.3	-82.5	168.2	0	0	0	117.2
4	R	27.7	Very low	27.2	Very low	220 Å²	220	144.6 Å²	144.6	83%	0.83	83%	0.826	S	S	*	*			trans	110.9	136.4	157.9	-69.4	-178.9	172.9	-172.5	-2.2	114.6
5	K	27.9	Very low	27.3	Very low	191 Å²	191	142 Å²	142	83%	0.83	82%	0.82	S	S	*	*			cis	-150.9	140.7	29.8	-96	153	177.2	-175.7	0	107.3
6	V	26.5	Very low	27.4	Very low	129 Å²	129	142.2 Å²	142.2	78%	0.782	82%	0.815	S	S	*	*				57.2	110.6	59.2	-170.6	0	0	0	0	115.7
7	S	26.9	Very low	27.5	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	81%	0.811	S	S	*	*			trans	-150.1	127.6	135.4	66.8	0	0	0	0	111.1
8	Q	27	Very low	27.4	Very low	188 Å²	188	146.7 Å²	146.7	88%	0.879	81%	0.813	S	S	*	*			trans	-92.4	159.6	179.3	-67.5	174.5	-35.3	0	0	112.4
9	S	24.5	Very low	27.7	Very low	104 Å²	104	146.8 Å²	146.8	73%	0.727	81%	0.812	S	S	*	*				-176.8	105.5	129.2	-160.6	0	0	0	0	108
10	S	28.8	Very low	28.4	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	81%	0.809	S	S	*	*				55.5	134	82	67.7	0	0	0	0	114.1
11	A	29.1	Very low	28.4	Very low	91 Å²	91	142.9 Å²	142.9	75%	0.752	81%	0.808	S	S	*	*			cis	-158.6	169.6	17	0	0	0	0	0	108.5
12	V	27	Very low	28.4	Very low	133 Å²	133	138.4 Å²	138.4	81%	0.806	79%	0.794	S	S	*	*				-170.3	135.5	76.3	162.9	0	0	0	0	111.7
13	C	27.1	Very low	28.6	Very low	132 Å²	132	139.6 Å²	139.6	89%	0.892	80%	0.8	S	S	*	*			trans	24.4	144.2	152.2	-69.5	0	0	0	0	121.9
14	G	27	Very low	28.8	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	80%	0.796	S	S	*	*			cis	161	157.1	16.9	0	0	0	0	0	105.2
15	S	28.9	Very low	28.6	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	79%	0.794	S	S	*	*			cis	-176.7	143.3	29.3	24.3	0	0	0	0	110.6
16	I	27.9	Very low	28.5	Very low	145 Å²	145	124.9 Å²	124.9	74%	0.744	79%	0.793	S	S	*	*			trans	76.7	105.4	135.5	-60.5	166.6	0	0	0	118.7
17	L	29.3	Very low	28.5	Very low	141 Å²	141	127.6 Å²	127.6	74%	0.738	80%	0.797	S	S	*	*				71.5	127.2	70.4	-77	167	0	0	0	112.9
18	R	26.9	Very low	28.8	Very low	224 Å²	224	134 Å²	134	85%	0.845	80%	0.802	S	S	*	*				-174.4	142.9	58.4	-112.7	146.8	-169.4	-144.2	6.6	110.4
19	N	32.6	Very low	28.8	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	80%	0.799	S	S	*	*			trans	-92.4	164.2	145.6	-138.3	-3.5	0	0	0	107.1
20	P	42	Very low	29	Very low	115 Å²	115	133.1 Å²	133.1	75%	0.747	80%	0.803	S	S	*	*				-157.4	165.7	98.4	39.2	-19.5	0	0	0	118
21	A	28	Very low	28.8	Very low	96 Å²	96	132 Å²	132	79%	0.793	80%	0.801	S	S	*	*			trans	91	119.8	137.4	0	0	0	0	0	121.1
22	V	32.3	Very low	28.6	Very low	139 Å²	139	135 Å²	135	84%	0.842	80%	0.802	S	S	*	*			trans	-67.2	141.1	162.5	170.8	0	0	0	0	111.1
23	L	27.7	Very low	28.5	Very low	167 Å²	167	134.6 Å²	134.6	87%	0.874	80%	0.8	S	S	*	*			trans	-150.8	145.4	146.4	-98.2	172.4	0	0	0	110.9
24	S	29.1	Very low	28.3	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	80%	0.795	S	S	*	*			trans	-61.9	156.9	-175.7	52.9	0	0	0	0	116.6
25	G	24.5	Very low	28.1	Very low	77 Å²	77	136.3 Å²	136.3	79%	0.794	80%	0.796	S	S	*	*			trans	149.6	114	156.2	0	0	0	0	0	113
26	G	25.2	Very low	27.9	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	79%	0.792	S	S	*	*			trans	-73.1	160.5	-171.1	0	0	0	0	0	115.9
27	Q	25.9	Very low	27.8	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	79%	0.793	S	S	*	*			trans	-166.6	125.4	134.2	-107.6	175.8	-2.5	0	0	108.8	Q29	Q27-Q29 PolarHBondContact O-N 3.44Å
28	R	34.3	Very low	27.9	Very low	256 Å²	256	136 Å²	136	97%	0.966	80%	0.798	S	S	*	*			trans	-61.8	115.9	168.2	-76	176.4	171.8	-177.3	-3	108.3
29	Q	26.5	Very low	28.1	Very low	176 Å²	176	128.2 Å²	128.2	82%	0.822	79%	0.787	S	S	*	*			trans	-119	118	153.8	-83.8	-172.5	-6.8	0	0	108.4	Q27 A31	Q27-Q29 PolarHBondContact O-N 3.44Å; Q29-A31 PolarHBondContact O-N 2.76Å; Q29-A31 VanDerWaalsContact O-N 3.08Å
30	A	29.7	Very low	28.3	Very low	98 Å²	98	132.6 Å²	132.6	81%	0.81	79%	0.793	S	S	*	*			trans	-64.8	102	171.3	0	0	0	0	0	108.7	I32	A30-I32 PolarHBondContact O-N 3.33Å
31	A	24.3	Very low	27.8	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	78%	0.784	S	S	*	*			trans	-78.3	103.4	162.7	0	0	0	0	0	107.5	Q29 V33	Q29-A31 PolarHBondContact O-N 2.76Å; Q29-A31 VanDerWaalsContact O-N 3.08Å; A31-V33 VanDerWaalsContact C-N 3.27Å; A31-V33 PolarHBondContact O-N 3.17Å
32	I	24.9	Very low	27.9	Very low	153 Å²	153	137.1 Å²	137.1	79%	0.785	78%	0.783	S	S	*	*			trans	-63.2	95.3	163	-66.1	171	0	0	0	106.1	A30 L34	A30-I32 PolarHBondContact O-N 3.33Å; I32-L34 HydrophobicContact CG2-CG 4.46Å; I32-L34 PolarHBondContact O-N 3Å
33	V	23.9	Very low	27.9	Very low	124 Å²	124	133 Å²	133	75%	0.752	76%	0.764	S	S	*	*			trans	-75.6	101.6	163.8	178.8	0	0	0	0	105.8	A31 A35	A31-V33 VanDerWaalsContact C-N 3.27Å; A31-V33 PolarHBondContact O-N 3.17Å; V33-A35 VanDerWaalsContact C-N 3.26Å; V33-A35 PolarHBondContact O-N 3.04Å
34	L	23.5	Very low	28.6	Very low	150 Å²	150	126.3 Å²	126.3	79%	0.785	73%	0.731	S	S	*	*			trans	-59.4	96.1	162.9	-86.2	157.8	0	0	0	107.3	I32 V36	I32-L34 HydrophobicContact CG2-CG 4.46Å; I32-L34 PolarHBondContact O-N 3Å; L34-V36 PolarHBondContact O-N 3.4Å
35	A	23.4	Very low	29	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	72%	0.716	S	S	*	*			trans	-59.7	105.2	170.2	0	0	0	0	0	108.2	V33 P37	V33-A35 VanDerWaalsContact C-N 3.26Å; V33-A35 PolarHBondContact O-N 3.04Å; A35-P37 WeakPolarHBondContact O-CD 3.3Å
36	V	23.7	Very low	29.5	Very low	110 Å²	110	122.7 Å²	122.7	67%	0.667	68%	0.684	S	S	*	*			trans	-67.2	117.5	166.3	179.1	0	0	0	0	106.6	L34 N38	L34-V36 PolarHBondContact O-N 3.4Å; V36-N38 PolarHBondContact O-N 3.15Å
37	P	26.2	Very low	30.1	Very low	118 Å²	118	119.3 Å²	119.3	77%	0.766	65%	0.648	S	S	*	*			trans	-81.7	70.2	-178	33.6	-32	0	0	0	109.6	A35 G39	A35-P37 WeakPolarHBondContact O-CD 3.3Å; P37-G39 PolarHBondContact O-N 3.1Å
38	N	30.5	Very low	30.8	Very low	156 Å²	156	115.8 Å²	115.8	83%	0.834	63%	0.632	S	S	*	*			trans	-89.1	65	167.7	-85.9	-9.4	0	0	0	109.9	V36	V36-N38 PolarHBondContact O-N 3.15Å
39	G	32.7	Very low	31.4	Very low	61 Å²	61	104.3 Å²	104.3	63%	0.629	59%	0.592	S	S	*	*			trans	-122.7	84.7	169.2	0	0	0	0	0	109.8	P37	P37-G39 PolarHBondContact O-N 3.1Å
40	R	35.3	Very low	32.2	Very low	241 Å²	241	97.5 Å²	97.5	91%	0.909	56%	0.562	S	S	*	*			trans	170.4	136.3	157.2	-97.4	157	-169.3	-155.2	3.2	110.7
41	L	32.3	Very low	32.7	Very low	106 Å²	106	95.5 Å²	95.5	56%	0.555	54%	0.537	S	S	*	.			trans	159.2	-12.9	131.4	-84.1	158.4	0	0	0	115.6	A43 S44 Q45	L41-A43 PolarHBondContact O-N 2.91Å; L41-S44 WeakPolarHBondContact CD2-OG 3.44Å; L41-S44 PolarHBondContact O-N 3.11Å; L41-S44 PolarHBondContact O-OG 3.11Å; L41-S44 VanDerWaalsContact O-OG 3.08Å; L41-Q45 PolarHBondContact O-N 2.95Å
42	Y	30.9	Very low	33.4	Very low	200 Å²	200	97.8 Å²	97.8	78%	0.784	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-42.7	-175.7	-83	-78	0	0	0	113.8	A46	Y42-A46 PolarHBondContact O-N 2.86Å
43	A	32.1	Very low	33.8	Very low	53 Å²	53	99.3 Å²	99.3	44%	0.438	54%	0.535	S	S	.	.	H	α-helix	trans	-73.2	-28.9	-178.6	0	0	0	0	0	113.6	L41 A47	L41-A43 PolarHBondContact O-N 2.91Å; A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.83Å
44	S	40.7	Very low	34.1	Very low	26 Å²	26	96.6 Å²	96.6	18%	0.182	52%	0.52	C	S	.	.	H	α-helix	trans	-76.9	-32.9	179.4	64.6	0	0	0	0	111.8	L41 Q48	L41-S44 WeakPolarHBondContact CD2-OG 3.44Å; L41-S44 PolarHBondContact O-N 3.11Å; L41-S44 PolarHBondContact O-OG 3.11Å; L41-S44 VanDerWaalsContact O-OG 3.08Å; S44-Q48 WeakPolarHBondContact O-CB 3.27Å; S44-Q48 PolarHBondContact O-N 3.04Å
45	Q	39.1	Very low	34.5	Very low	97 Å²	97	92 Å²	92	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-67.9	-45	177	-72.9	-179.8	-4.1	0	0	111.9	L41 A47 Q48 A49	L41-Q45 PolarHBondContact O-N 2.95Å; Q45-A47 PolarHBondContact O-N 2.79Å; Q45-Q48 PolarHBondContact O-N 3.4Å; Q45-A49 WeakPolarHBondContact O-CB 3.38Å; Q45-A49 PolarHBondContact O-N 3.04Å
46	A	34	Very low	34.8	Very low	15 Å²	15	91.7 Å²	91.7	12%	0.124	50%	0.501	C	S	.	.	H	α-helix	trans	-62.3	-42	174.7	0	0	0	0	0	112.2	Y42 Q48 A49 V50 D228	Y42-A46 PolarHBondContact O-N 2.86Å; A46-Q48 VanDerWaalsContact C-N 3.31Å; A46-Q48 PolarHBondContact O-N 3.01Å; A46-A49 PolarHBondContact O-N 3.14Å; A46-V50 WeakPolarHBondContact O-CG2 3.16Å; A46-V50 PolarHBondContact O-N 2.94Å; A46-D228 HydrophobicContact CB-CB 4.39Å
47	A	37.6	Very low	35	Very low	6 Å²	6	91.8 Å²	91.8	5%	0.05	50%	0.501	C	S	.	.	H	α-helix	trans	-68.7	-29.4	176.2	0	0	0	0	0	112.8	A43 Q45 L478 I563	A43-A47 WeakPolarHBondContact O-CB 3.3Å; A43-A47 PolarHBondContact O-N 2.83Å; Q45-A47 PolarHBondContact O-N 2.79Å; A47-L478 HydrophobicContact CB-CD1 3.98Å; A47-I563 HydrophobicContact CB-CD1 3.66Å; A47-I563 HydrophobicContact CB-CG1 3.5Å
48	Q	41	Very low	35.2	Very low	112 Å²	112	88.9 Å²	88.9	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-77.6	-37	176.6	-169.1	160.2	-5.4	0	0	111.5	S44 Q45 A46 V50 L51 E52	S44-Q48 WeakPolarHBondContact O-CB 3.27Å; S44-Q48 PolarHBondContact O-N 3.04Å; Q45-Q48 PolarHBondContact O-N 3.4Å; A46-Q48 VanDerWaalsContact C-N 3.31Å; A46-Q48 PolarHBondContact O-N 3.01Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 3.47Å; Q48-L51 PolarHBondContact O-N 2.99Å; Q48-E52 PolarHBondContact O-N 3.3Å
49	A	48.1	Very low	35.1	Very low	15 Å²	15	86.9 Å²	86.9	12%	0.124	49%	0.491	C	S	.	.	H	α-helix	trans	-61.5	-32.4	171.1	0	0	0	0	0	112.5	Q45 A46 L51 A230 F334	Q45-A49 WeakPolarHBondContact O-CB 3.38Å; Q45-A49 PolarHBondContact O-N 3.04Å; A46-A49 PolarHBondContact O-N 3.14Å; A49-L51 VanDerWaalsContact C-N 3.26Å; A49-L51 PolarHBondContact O-N 3.03Å; A49-A230 HydrophobicContact CB-CB 4.44Å; A49-F334 HydrophobicContact CB-CZ 4.44Å
50	V	41.4	Very low	35	Very low	33 Å²	33	91.6 Å²	91.6	20%	0.2	50%	0.502	C	S	.	.	H	α-helix	trans	-63.8	-28.9	171.7	165.8	0	0	0	0	112.8	A46 Q48 F475 N479	A46-V50 WeakPolarHBondContact O-CG2 3.16Å; A46-V50 PolarHBondContact O-N 2.94Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 3.47Å; V50-F475 HydrophobicContact CG1-CB 4.46Å; V50-F475 HydrophobicContact CG1-CD2 3.72Å; V50-F475 HydrophobicContact CG1-CE2 4.46Å; V50-F475 HydrophobicContact CG1-CG 4.49Å; V50-F475 HydrophobicContact CG2-CD2 4.4Å; V50-N479 WeakPolarHBondContact CG1-ND2 3.44Å
51	L	40.5	Very low	34.9	Very low	55 Å²	55	85.5 Å²	85.5	29%	0.288	50%	0.503	S	S	.	.	H	α-helix	trans	-94.2	-13	-176.6	-67.4	172.1	0	0	0	113.6	Q48 A49 K53 L478 Q482 I563	Q48-L51 PolarHBondContact O-N 2.99Å; A49-L51 VanDerWaalsContact C-N 3.26Å; A49-L51 PolarHBondContact O-N 3.03Å; L51-K53 PolarHBondContact O-N 3.43Å; L51-L478 HydrophobicContact CD2-CB 4.33Å; L51-Q482 HydrophobicContact CD2-CB 4.2Å; L51-Q482 HydrophobicContact CD2-CG 4.46Å; L51-I563 HydrophobicContact CD1-CD1 3.87Å
52	E	40.6	Very low	34.7	Very low	135 Å²	135	84.6 Å²	84.6	63%	0.631	51%	0.511	S	S	*	.	S	Bend	trans	-68.4	114.2	173.2	-71.2	-169.7	173.4	0	0	109.6	Q48 P54	Q48-E52 PolarHBondContact O-N 3.3Å; E52-P54 VanDerWaalsContact O-CD 3.29Å; E52-P54 WeakPolarHBondContact O-CD 3.08Å
53	K	33.3	Very low	34.5	Very low	185 Å²	185	80.6 Å²	80.6	80%	0.804	51%	0.512	S	S	*	.			trans	-43.2	117.7	-170.9	-83.1	-178.9	168.6	-176.6	0	113.7	L51 A55	L51-K53 PolarHBondContact O-N 3.43Å; K53-A55 PolarHBondContact O-N 3.45Å
54	P	30.1	Very low	34.7	Very low	67 Å²	67	88 Å²	88	44%	0.435	54%	0.535	S	S	.	.			trans	-76.3	101.3	142.3	10.1	7.3	0	0	0	106.3	E52 A56	E52-P54 VanDerWaalsContact O-CD 3.29Å; E52-P54 WeakPolarHBondContact O-CD 3.08Å; P54-A56 PolarHBondContact O-N 3.3Å; P54-A56 VanDerWaalsContact O-N 3.11Å
55	A	30.8	Very low	34.1	Very low	53 Å²	53	92.8 Å²	92.8	44%	0.438	56%	0.562	S	S	.	*			trans	-64.1	113.9	165.7	0	0	0	0	0	107.8	K53 V57 K335	K53-A55 PolarHBondContact O-N 3.45Å; A55-V57 HydrophobicContact CB-CG2 4.16Å; A55-V57 PolarHBondContact O-N 3.38Å; A55-K335 WeakPolarHBondContact O-CE 3.19Å; A55-K335 PolarHBondContact O-NZ 3.4Å
56	A	29	Very low	33.8	Very low	82 Å²	82	97.7 Å²	97.7	68%	0.678	59%	0.585	S	S	*	*			trans	-58.3	116.2	161.4	0	0	0	0	0	107.3	P54	P54-A56 PolarHBondContact O-N 3.3Å; P54-A56 VanDerWaalsContact O-N 3.11Å
57	V	29.6	Very low	33.5	Very low	111 Å²	111	106 Å²	106	67%	0.673	62%	0.619	S	S	*	*			trans	-135.6	116.8	170.5	-174.6	0	0	0	0	105.9	A55	A55-V57 HydrophobicContact CB-CG2 4.16Å; A55-V57 PolarHBondContact O-N 3.38Å
58	G	30.1	Very low	33.2	Very low	58 Å²	58	115.8 Å²	115.8	60%	0.598	66%	0.66	S	S	*	*			trans	-62.3	143.7	171	0	0	0	0	0	110.2	D60	G58-D60 PolarHBondContact O-N 2.89Å; G58-D60 VanDerWaalsContact O-N 3.15Å
59	S	28.8	Very low	32.7	Very low	114 Å²	114	115 Å²	115	80%	0.797	67%	0.672	S	S	*	*	S	Bend	trans	-68.9	101.6	166.8	52.2	0	0	0	0	108.5
60	D	29.7	Very low	32.1	Very low	160 Å²	160	120.6 Å²	120.6	86%	0.856	71%	0.705	S	S	*	*			trans	-156.1	110.2	151.8	-89.1	-31.8	0	0	0	108.2	G58 A62	G58-D60 PolarHBondContact O-N 2.89Å; G58-D60 VanDerWaalsContact O-N 3.15Å; D60-A62 PolarHBondContact O-N 3.44Å
61	A	32.3	Very low	32.4	Very low	113 Å²	113	123.4 Å²	123.4	93%	0.934	73%	0.731	S	S	*	*			trans	-83.9	92.1	171.8	0	0	0	0	0	108.7
62	A	28.6	Very low	33.3	Very low	87 Å²	87	127.4 Å²	127.4	72%	0.719	76%	0.758	S	S	*	*			trans	-156.5	126.8	161.1	0	0	0	0	0	112.6	D60	D60-A62 PolarHBondContact O-N 3.44Å
63	S	28	Very low	35.1	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	76%	0.762	S	S	*	*			trans	35.5	118.6	163.4	63.7	0	0	0	0	121.2	V65	S63-V65 PolarHBondContact O-N 3.13Å
64	K	35.6	Very low	37.7	Very low	209 Å²	209	120.5 Å²	120.5	91%	0.909	73%	0.731	S	S	*	*			trans	-59.3	115.5	167.1	-76.7	174.9	173.3	175.6	0	112.1
65	V	28	Very low	40.8	Very low	125 Å²	125	124.1 Å²	124.1	76%	0.758	74%	0.74	S	S	*	*			trans	-139	110.3	145.7	-178.5	0	0	0	0	107.9	S63 K67	S63-V65 PolarHBondContact O-N 3.13Å; V65-K67 PolarHBondContact O-N 3.49Å
66	E	32.2	Very low	43.9	Very low	200 Å²	200	121.6 Å²	121.6	94%	0.935	72%	0.719	S	S	*	*			trans	-67.5	92	175.2	-77.6	-176.9	154	0	0	110.6
67	K	28.4	Very low	47.1	Very low	191 Å²	191	117.7 Å²	117.7	83%	0.83	69%	0.687	S	S	*	*			trans	-89.2	124.2	154.1	-77.6	-176.6	178.3	177.1	0	107.8	V65 A69	V65-K67 PolarHBondContact O-N 3.49Å; K67-A69 PolarHBondContact O-N 2.9Å
68	K	31.3	Very low	50.3	Low	211 Å²	211	112.4 Å²	112.4	92%	0.917	66%	0.655	S	S	*	*			trans	-51.7	99.2	170.1	-89.5	177	174.4	170.1	0	109.1	V70	K68-V70 PolarHBondContact O-N 3.19Å; K68-V70 VanDerWaalsContact O-N 3.16Å
69	A	30.6	Very low	53.4	Low	94 Å²	94	110.1 Å²	110.1	78%	0.777	63%	0.629	S	S	*	*			trans	-65.7	114.2	173.6	0	0	0	0	0	108.3	K67 A71	K67-A69 PolarHBondContact O-N 2.9Å; A69-A71 PolarHBondContact O-N 3.1Å
70	V	35	Very low	56.5	Low	134 Å²	134	104.9 Å²	104.9	81%	0.812	59%	0.593	S	S	*	*			trans	-56.9	119	159.6	178.6	0	0	0	0	105.4	K68 T72	K68-V70 PolarHBondContact O-N 3.19Å; K68-V70 VanDerWaalsContact O-N 3.16Å; V70-T72 PolarHBondContact O-N 3.12Å
71	A	47.5	Very low	59.7	Low	92 Å²	92	97.3 Å²	97.3	76%	0.76	55%	0.552	S	S	*	*			trans	-56.8	110.6	-177.3	0	0	0	0	0	108.9	A69 E73	A69-A71 PolarHBondContact O-N 3.1Å; A71-E73 PolarHBondContact O-N 3Å
72	T	59.5	Low	62.7	Low	138 Å²	138	92 Å²	92	85%	0.847	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-65.2	129.7	178.8	-14.9	0	0	0	0	107.9	V70 S74	V70-T72 PolarHBondContact O-N 3.12Å; T72-S74 PolarHBondContact O-N 3.06Å
73	E	78	Confident	65.6	Low	152 Å²	152	89.4 Å²	89.4	71%	0.71	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-61.8	135.2	177	-71	-169.5	152.5	0	0	110	A71	A71-E73 PolarHBondContact O-N 3Å
74	S	89.1	Confident	68.5	Low	24 Å²	24	84 Å²	84	17%	0.168	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-61.7	138.4	179.5	-176.3	0	0	0	0	110.1	T72 S76 N80 D414	T72-S74 PolarHBondContact O-N 3.06Å; S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact OG-N 2.91Å; S74-N80 PolarHBondContact O-ND2 3.32Å; S74-D414 WeakPolarHBondContact CB-OD2 3.44Å; S74-D414 PolarHBondContact OG-OD2 3.02Å
75	K	94.1	Very high	71.2	Confident	142 Å²	142	76 Å²	76	62%	0.617	41%	0.408	S	S	*	.			trans	-83.8	-6.2	175.7	-64	-176.2	179.4	-177.8	0	113.2	F77 A89 Q90	K75-F77 PolarHBondContact O-N 2.9Å; K75-A89 HydrophobicContact CB-CB 4.41Å; K75-A89 HydrophobicContact CD-CB 4.49Å; K75-Q90 HydrophobicContact CB-CG 4.12Å
76	S	96.4	Very high	74.2	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.38	C	S	.	.			trans	-64.6	128.2	179	157.4	0	0	0	0	111.2	S74 A78 V79 N80 Q90 E418	S74-S76 VanDerWaalsContact C-N 3.31Å; S74-S76 PolarHBondContact OG-N 2.91Å; S76-A78 PolarHBondContact OG-N 3.39Å; S76-V79 WeakPolarHBondContact OG-CG2 3.47Å; S76-V79 PolarHBondContact OG-N 2.91Å; S76-N80 PolarHBondContact O-N 3.16Å; S76-N80 PolarHBondContact O-ND2 3.45Å; S76-Q90 VanDerWaalsContact CA-OE1 3.3Å; S76-E418 WeakPolarHBondContact CB-OE1 3.46Å; S76-E418 PolarHBondContact OG-OE1 3.37Å; S76-E418 PolarHBondContact OG-OE2 2.96Å
77	F	96.8	Very high	77.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-45.4	174.5	-179.5	-84.3	0	0	0	110.2	K75 V79 N80 M81 I86 A87 V91 E418 I544 Y580 V583	K75-F77 PolarHBondContact O-N 2.9Å; F77-V79 VanDerWaalsContact C-N 3.34Å; F77-V79 PolarHBondContact O-N 2.93Å; F77-N80 PolarHBondContact O-N 3.17Å; F77-N80 VanDerWaalsContact O-N 3.12Å; F77-M81 HydrophobicContact CD1-SD 4.12Å; F77-M81 HydrophobicContact CE1-CB 4.09Å; F77-M81 HydrophobicContact CE1-CG 4.46Å; F77-M81 HydrophobicContact CE1-SD 3.81Å; F77-M81 PolarHBondContact O-N 3.12Å; F77-I86 HydrophobicContact CE2-CG2 4.29Å; F77-A87 WeakPolarHBondContact CD2-O 3.5Å; F77-V91 HydrophobicContact CB-CG2 3.5Å; F77-V91 HydrophobicContact CD2-CG2 3.97Å; F77-V91 HydrophobicContact CG-CG2 3.86Å; F77-E418 PolarHBondContact N-OE1 3.37Å; F77-I544 HydrophobicContact CE2-CD1 4.42Å; F77-I544 HydrophobicContact CZ-CD1 3.65Å; F77-Y580 HydrophobicContact CD1-CD2 4.08Å; F77-V583 HydrophobicContact CD1-CG2 3.84Å; F77-V583 HydrophobicContact CD2-CG2 4.28Å; F77-V583 HydrophobicContact CE1-CB 4.39Å; F77-V583 HydrophobicContact CE1-CG1 4.05Å; F77-V583 HydrophobicContact CE1-CG2 3.53Å; F77-V583 HydrophobicContact CE2-CB 4.22Å; F77-V583 HydrophobicContact CE2-CG1 3.73Å; F77-V583 HydrophobicContact CE2-CG2 4.01Å; F77-V583 HydrophobicContact CG-CG2 4.22Å; F77-V583 HydrophobicContact CZ-CB 4.02Å; F77-V583 HydrophobicContact CZ-CG1 3.34Å; F77-V583 HydrophobicContact CZ-CG2 3.64Å
78	A	96.8	Very high	80.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.5	-36.5	-177.3	0	0	0	0	0	112	S76 N80 M81 F82 I417 E418 I421	S76-A78 PolarHBondContact OG-N 3.39Å; A78-N80 VanDerWaalsContact C-N 3.29Å; A78-N80 PolarHBondContact O-N 3.08Å; A78-M81 HydrophobicContact CB-CE 3.96Å; A78-M81 WeakPolarHBondContact O-CG 3.38Å; A78-F82 VanDerWaalsContact O-CD2 3.22Å; A78-F82 WeakPolarHBondContact O-CD2 3.41Å; A78-I417 HydrophobicContact CB-CB 3.85Å; A78-I417 HydrophobicContact CB-CG2 3.59Å; A78-E418 VanDerWaalsContact CB-CD 3.47Å; A78-E418 HydrophobicContact CB-CG 3.99Å; A78-E418 VanDerWaalsContact CB-OE1 3.29Å; A78-E418 WeakPolarHBondContact CB-OE1 3.48Å; A78-E418 PolarHBondContact N-OE1 2.88Å; A78-I421 HydrophobicContact CB-CD1 4.46Å
79	V	94.5	Very high	83.2	Confident	10 Å²	10	49.5 Å²	49.5	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-38.7	174.1	168.6	0	0	0	0	111.6	S76 F77 I417 N483	S76-V79 WeakPolarHBondContact OG-CG2 3.47Å; S76-V79 PolarHBondContact OG-N 2.91Å; F77-V79 VanDerWaalsContact C-N 3.34Å; F77-V79 PolarHBondContact O-N 2.93Å; V79-I417 HydrophobicContact CG2-CD1 3.9Å; V79-N483 HydrophobicContact CG1-CB 3.93Å
80	N	94.5	Very high	86.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-85.5	-28.4	-173.7	-69.8	-58.2	0	0	0	113.5	S74 S76 F77 A78 F82 K83 G84 Q85 A87	S74-N80 PolarHBondContact O-ND2 3.32Å; S76-N80 PolarHBondContact O-N 3.16Å; S76-N80 PolarHBondContact O-ND2 3.45Å; F77-N80 PolarHBondContact O-N 3.17Å; F77-N80 VanDerWaalsContact O-N 3.12Å; A78-N80 VanDerWaalsContact C-N 3.29Å; A78-N80 PolarHBondContact O-N 3.08Å; N80-F82 VanDerWaalsContact C-N 3.25Å; N80-F82 PolarHBondContact O-N 3.21Å; N80-K83 WeakPolarHBondContact O-CA 3.46Å; N80-K83 WeakPolarHBondContact O-CB 3.36Å; N80-K83 PolarHBondContact O-N 2.58Å; N80-K83 PolarHBondContact OD1-NZ 3.06Å; N80-G84 PolarHBondContact O-N 3.42Å; N80-Q85 CarbonylContact C-O 3.52Å; N80-Q85 VanDerWaalsContact C-O 3.27Å; N80-Q85 HydrophobicContact CB-CB 4.13Å; N80-Q85 WeakPolarHBondContact O-CB 3.42Å; N80-Q85 PolarHBondContact O-N 3.45Å; N80-Q85 PolarHBondContact OD1-OE1 3.16Å; N80-A87 HydrophobicContact CB-CB 3.8Å; N80-A87 VanDerWaalsContact ND2-CB 3.31Å; N80-A87 WeakPolarHBondContact ND2-CB 3.37Å
81	M	95.8	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-30.9	175.6	73.2	-176.8	-178.9	0	0	112.6	F77 A78 K83 G84 Q85 I421 I544 F547 A576 L579	F77-M81 HydrophobicContact CD1-SD 4.12Å; F77-M81 HydrophobicContact CE1-CB 4.09Å; F77-M81 HydrophobicContact CE1-CG 4.46Å; F77-M81 HydrophobicContact CE1-SD 3.81Å; F77-M81 PolarHBondContact O-N 3.12Å; A78-M81 HydrophobicContact CB-CE 3.96Å; A78-M81 WeakPolarHBondContact O-CG 3.38Å; M81-K83 PolarHBondContact O-N 2.9Å; M81-G84 WeakPolarHBondContact O-CA 3.37Å; M81-G84 PolarHBondContact O-N 2.9Å; M81-Q85 WeakPolarHBondContact CA-O 3.37Å; M81-Q85 PolarHBondContact N-O 2.99Å; M81-I421 HydrophobicContact CE-CD1 4.34Å; M81-I544 HydrophobicContact CB-CG2 4.3Å; M81-F547 HydrophobicContact CG-CE1 4.33Å; M81-A576 HydrophobicContact CE-CB 3.41Å; M81-A576 VanDerWaalsContact CE-CB 3.41Å; M81-A576 WeakPolarHBondContact CE-O 3.4Å; M81-L579 HydrophobicContact SD-CB 3.89Å; M81-L579 HydrophobicContact SD-CD1 4.34Å
82	F	95.5	Very high	91.7	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.2	172.7	-82.8	-103.6	0	0	0	113.2	A78 N80 G84 V476 G480 F547 I551 V572 A576	A78-F82 VanDerWaalsContact O-CD2 3.22Å; A78-F82 WeakPolarHBondContact O-CD2 3.41Å; N80-F82 VanDerWaalsContact C-N 3.25Å; N80-F82 PolarHBondContact O-N 3.21Å; F82-G84 VanDerWaalsContact C-N 3.33Å; F82-V476 HydrophobicContact CZ-CG1 4.31Å; F82-G480 VanDerWaalsContact CD1-CA 3.47Å; F82-F547 HydrophobicContact CB-CE1 4.5Å; F82-F547 HydrophobicContact CD1-CE1 4.03Å; F82-F547 AromaticContact CD1-CZ 3.99Å; F82-F547 HydrophobicContact CD1-CZ 3.99Å; F82-F547 AromaticContact CD2-CE1 3.87Å; F82-F547 HydrophobicContact CD2-CE1 3.87Å; F82-F547 HydrophobicContact CD2-CZ 4.28Å; F82-F547 HydrophobicContact CE1-CE1 4.24Å; F82-F547 AromaticContact CE1-CZ 3.79Å; F82-F547 HydrophobicContact CE1-CZ 3.79Å; F82-F547 HydrophobicContact CE2-CE1 4.11Å; F82-F547 HydrophobicContact CE2-CZ 4.11Å; F82-F547 AromaticContact CG-CE1 3.87Å; F82-F547 HydrophobicContact CG-CE1 3.87Å; F82-F547 HydrophobicContact CG-CZ 4.26Å; F82-F547 HydrophobicContact CZ-CE1 4.29Å; F82-F547 AromaticContact CZ-CZ 3.86Å; F82-F547 HydrophobicContact CZ-CZ 3.86Å; F82-I551 HydrophobicContact CD1-CD1 3.74Å; F82-I551 HydrophobicContact CD1-CG1 3.96Å; F82-I551 HydrophobicContact CD1-CG2 4.33Å; F82-I551 HydrophobicContact CE1-CD1 3.98Å; F82-I551 VanDerWaalsContact O-CG2 3.24Å; F82-I551 WeakPolarHBondContact O-CG2 3.12Å; F82-V572 HydrophobicContact CE1-CG1 3.56Å; F82-V572 HydrophobicContact CZ-CG1 4.11Å; F82-A576 HydrophobicContact CE2-CB 3.8Å; F82-A576 HydrophobicContact CZ-CB 3.85Å
83	K	89.3	Confident	93.5	Very high	34 Å²	34	34.9 Å²	34.9	15%	0.148	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1	173.2	-53.5	168.6	-172.8	167.8	0	112	N80 M81 Q85 A484 Q487 R515	N80-K83 WeakPolarHBondContact O-CA 3.46Å; N80-K83 WeakPolarHBondContact O-CB 3.36Å; N80-K83 PolarHBondContact O-N 2.58Å; N80-K83 PolarHBondContact OD1-NZ 3.06Å; M81-K83 PolarHBondContact O-N 2.9Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 HydrophobicContact CB-CB 4.42Å; K83-Q85 HydrophobicContact CB-CG 3.95Å; K83-A484 HydrophobicContact CG-CB 4.43Å; K83-Q487 VanDerWaalsContact CD-OE1 3.22Å; K83-R515 PolarHBondContact O-NH2 3.48Å
84	G	90.4	Very high	94.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	44	-167.3	0	0	0	0	0	111.4	N80 M81 F82 R515 L523	N80-G84 PolarHBondContact O-N 3.42Å; M81-G84 WeakPolarHBondContact O-CA 3.37Å; M81-G84 PolarHBondContact O-N 2.9Å; F82-G84 VanDerWaalsContact C-N 3.33Å; G84-R515 PolarHBondContact O-NH2 3.46Å; G84-L523 WeakPolarHBondContact O-CD1 3.38Å
85	Q	91.1	Very high	94.8	Very high	41 Å²	41	28 Å²	28	19%	0.192	16%	0.161	C	C	.	.			trans	-124.4	152.1	177.6	-64.5	175.3	-17.3	0	0	109.5	N80 M81 K83	N80-Q85 CarbonylContact C-O 3.52Å; N80-Q85 VanDerWaalsContact C-O 3.27Å; N80-Q85 HydrophobicContact CB-CB 4.13Å; N80-Q85 WeakPolarHBondContact O-CB 3.42Å; N80-Q85 PolarHBondContact O-N 3.45Å; N80-Q85 PolarHBondContact OD1-OE1 3.16Å; M81-Q85 WeakPolarHBondContact CA-O 3.37Å; M81-Q85 PolarHBondContact N-O 2.99Å; K83-Q85 VanDerWaalsContact C-N 3.33Å; K83-Q85 HydrophobicContact CB-CB 4.42Å; K83-Q85 HydrophobicContact CB-CG 3.95Å
86	I	92.5	Very high	94.7	Very high	33 Å²	33	28.1 Å²	28.1	17%	0.169	16%	0.161	C	C	.	.			trans	-109.9	113.5	176.8	-64.7	177.1	0	0	0	108.1	F77 T88 L523 L525 V541 I544	F77-I86 HydrophobicContact CE2-CG2 4.29Å; I86-T88 HydrophobicContact CG2-CG2 3.79Å; I86-L523 HydrophobicContact CB-CD2 4.26Å; I86-L523 HydrophobicContact CD1-CB 4.15Å; I86-L523 HydrophobicContact CD1-CD2 4.3Å; I86-L523 HydrophobicContact CG1-CD2 4.12Å; I86-L525 HydrophobicContact CD1-CD2 4.37Å; I86-L525 HydrophobicContact CD1-CG 4.3Å; I86-L525 HydrophobicContact CG2-CD2 3.69Å; I86-V541 HydrophobicContact CD1-CB 4.48Å; I86-V541 HydrophobicContact CD1-CG1 4.41Å; I86-V541 HydrophobicContact CD1-CG2 3.81Å; I86-I544 HydrophobicContact CD1-CD1 4.25Å; I86-I544 HydrophobicContact CG1-CD1 4.02Å; I86-I544 HydrophobicContact CG1-CG2 4.35Å
87	A	93.2	Very high	94.4	Very high	21 Å²	21	29.4 Å²	29.4	17%	0.174	17%	0.172	C	C	.	.			trans	-111.7	106.2	174.5	0	0	0	0	0	109.4	F77 N80	F77-A87 WeakPolarHBondContact CD2-O 3.5Å; N80-A87 HydrophobicContact CB-CB 3.8Å; N80-A87 VanDerWaalsContact ND2-CB 3.31Å; N80-A87 WeakPolarHBondContact ND2-CB 3.37Å
88	T	93.4	Very high	94.3	Very high	46 Å²	46	30.5 Å²	30.5	28%	0.282	18%	0.177	S	C	.	.			trans	-88.2	-14.2	-169.7	53	0	0	0	0	114.4	I86 Q90 V91 F92 L525	I86-T88 HydrophobicContact CG2-CG2 3.79Å; T88-Q90 PolarHBondContact O-N 3.38Å; T88-V91 PolarHBondContact O-N 3.03Å; T88-F92 HydrophobicContact CG2-CD2 3.88Å; T88-F92 PolarHBondContact O-N 3.4Å; T88-L525 HydrophobicContact CG2-CD2 4.36Å
89	A	94.2	Very high	94.3	Very high	71 Å²	71	34.2 Å²	34.2	59%	0.587	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.9	-167.5	0	0	0	0	0	115.8	K75	K75-A89 HydrophobicContact CB-CB 4.41Å; K75-A89 HydrophobicContact CD-CB 4.49Å
90	Q	96.4	Very high	94.3	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.089	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	10.5	178.1	-69.5	-177.5	-6.1	0	0	113.1	K75 S76 T88 N407 D414	K75-Q90 HydrophobicContact CB-CG 4.12Å; S76-Q90 VanDerWaalsContact CA-OE1 3.3Å; T88-Q90 PolarHBondContact O-N 3.38Å; Q90-N407 PolarHBondContact O-ND2 2.71Å; Q90-N407 PolarHBondContact O-OD1 3.19Å; Q90-N407 VanDerWaalsContact O-OD1 3.11Å; Q90-D414 PolarHBondContact NE2-O 3.4Å; Q90-D414 PolarHBondContact OE1-O 3.19Å
91	V	97.8	Very high	94.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-43.5	-175.4	-178.4	0	0	0	0	111.3	F77 T88 P93 M403 V583 S587	F77-V91 HydrophobicContact CB-CG2 3.5Å; F77-V91 HydrophobicContact CD2-CG2 3.97Å; F77-V91 HydrophobicContact CG-CG2 3.86Å; T88-V91 PolarHBondContact O-N 3.03Å; V91-P93 CarbonylContact O-C 3.57Å; V91-M403 HydrophobicContact CB-CE 4.49Å; V91-M403 HydrophobicContact CB-SD 4.2Å; V91-M403 HydrophobicContact CG1-CE 3.87Å; V91-M403 HydrophobicContact CG1-SD 3.97Å; V91-M403 HydrophobicContact CG2-SD 4.01Å; V91-V583 HydrophobicContact CG1-CB 4Å; V91-V583 HydrophobicContact CG1-CG2 4.01Å; V91-S587 VanDerWaalsContact O-CB 3.27Å; V91-S587 WeakPolarHBondContact O-CB 3.3Å; V91-S587 PolarHBondContact O-OG 3.46Å
92	F	97.3	Very high	94.4	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	28%	0.276	C	S	.	.	S	Bend	trans	-122.7	135.8	-175.8	-60.3	-86	0	0	0	112.1	T88 L525 S528 I529 V583 L586 S587	T88-F92 HydrophobicContact CG2-CD2 3.88Å; T88-F92 PolarHBondContact O-N 3.4Å; F92-L525 HydrophobicContact CE2-CD2 3.89Å; F92-L525 HydrophobicContact CZ-CD2 4.32Å; F92-S528 WeakPolarHBondContact CD1-O 3.47Å; F92-I529 HydrophobicContact CD1-CG2 4.12Å; F92-I529 HydrophobicContact CE1-CG2 3.47Å; F92-I529 VanDerWaalsContact CE1-CG2 3.47Å; F92-I529 HydrophobicContact CZ-CG2 3.95Å; F92-V583 HydrophobicContact CE2-CB 4.19Å; F92-V583 HydrophobicContact CZ-CB 4.16Å; F92-V583 WeakPolarHBondContact CZ-O 3.37Å; F92-L586 HydrophobicContact CE1-CB 4.23Å; F92-L586 HydrophobicContact CZ-CB 4.18Å; F92-S587 VanDerWaalsContact CE1-CB 3.42Å
93	P	97.3	Very high	94.4	Very high	112 Å²	112	54.2 Å²	54.2	73%	0.727	29%	0.29	S	S	*	.	S	Bend	cis	-64.4	162.9	-12.9	30.4	-36	0	0	0	111.7	V91	V91-P93 CarbonylContact O-C 3.57Å
94	F	98.3	Very high	94.7	Very high	10 Å²	10	58 Å²	58	4%	0.044	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-58.4	129.4	176.7	-166.6	-81.1	0	0	0	109.7	K96 M403 S587 R588 R591	F94-K96 PolarHBondContact O-N 2.81Å; F94-M403 HydrophobicContact CD2-CE 3.59Å; F94-M403 HydrophobicContact CE2-CB 4.14Å; F94-M403 HydrophobicContact CE2-CE 3.77Å; F94-M403 HydrophobicContact CZ-CB 4.37Å; F94-S587 WeakPolarHBondContact CA-OG 3.24Å; F94-S587 VanDerWaalsContact CB-OG 3.31Å; F94-S587 WeakPolarHBondContact CB-OG 3.49Å; F94-S587 PolarHBondContact N-OG 3.17Å; F94-R588 HydrophobicContact CD2-CB 3.58Å; F94-R588 HydrophobicContact CD2-CG 4.32Å; F94-R588 HydrophobicContact CE2-CB 3.8Å; F94-R588 HydrophobicContact CE2-CG 4.32Å; F94-R588 HydrophobicContact CG-CB 4.18Å; F94-R591 HydrophobicContact CB-CB 4.16Å; F94-R591 VanDerWaalsContact CD1-CZ 3.45Å; F94-R591 WeakPolarHBondContact O-CD 3.48Å; F94-R591 PolarHBondContact O-NH1 3.15Å
95	P	95.4	Very high	95	Very high	23 Å²	23	61.9 Å²	61.9	15%	0.149	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-61.5	133.1	-165.4	22	-33.1	0	0	0	112.7	R591	P95-R591 PolarHBondContact O-NH1 3.4Å
96	K	92.7	Very high	95.3	Very high	144 Å²	144	60.7 Å²	60.7	63%	0.626	32%	0.32	S	S	*	.			trans	-98.2	95.4	159.5	-175.5	-179.1	179.8	-179.9	0	106.7	F94 E103	F94-K96 PolarHBondContact O-N 2.81Å; K96-E103 WeakPolarHBondContact CE-OE1 3.44Å; K96-E103 IonicContact NZ-OE1 4Å
97	A	89.5	Confident	95.4	Very high	27 Å²	27	65.9 Å²	65.9	22%	0.223	34%	0.343	C	S	.	.			trans	-85.2	-23	-169.1	0	0	0	0	0	114	T162 D409	A97-T162 HydrophobicContact CB-CG2 4.28Å; A97-D409 HydrophobicContact CB-CB 4.44Å
98	L	95.6	Very high	95.4	Very high	22 Å²	22	70.2 Å²	70.2	12%	0.115	36%	0.36	C	S	.	.			trans	-102	142.2	-171.8	-54.2	-174.6	0	0	0	111.3	Q102 E103 L106 T162 Q163	L98-Q102 HydrophobicContact CB-CB 4.12Å; L98-Q102 HydrophobicContact CD2-CB 4.28Å; L98-E103 HydrophobicContact CB-CG 3.58Å; L98-E103 HydrophobicContact CD1-CG 4.11Å; L98-E103 HydrophobicContact CG-CG 4.48Å; L98-L106 HydrophobicContact CD1-CD2 3.83Å; L98-T162 HydrophobicContact CD1-CG2 4.26Å; L98-T162 HydrophobicContact CD2-CG2 4.07Å; L98-T162 HydrophobicContact CG-CG2 4.08Å; L98-Q163 HydrophobicContact CD1-CG 4.07Å; L98-Q163 HydrophobicContact CD2-CG 3.8Å
99	N	95.1	Very high	95.5	Very high	79 Å²	79	69.5 Å²	69.5	42%	0.422	35%	0.354	S	S	.	.			trans	-83.6	172.6	163.4	69.8	33.3	0	0	0	110.8	E101 Q102 E103	N99-E101 PolarHBondContact O-N 3.37Å; N99-E101 PolarHBondContact OD1-N 3.22Å; N99-Q102 VanDerWaalsContact N-OE1 3.09Å; N99-Q102 PolarHBondContact O-N 3.13Å; N99-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N99-Q102 VanDerWaalsContact OD1-CG 3.29Å; N99-Q102 WeakPolarHBondContact OD1-CG 3.43Å; N99-Q102 PolarHBondContact OD1-N 3.28Å; N99-E103 WeakPolarHBondContact O-CG 3.35Å; N99-E103 PolarHBondContact O-N 3.02Å
100	E	95.9	Very high	95.7	Very high	156 Å²	156	67.3 Å²	67.3	73%	0.729	33%	0.333	S	S	*	.	H	α-helix	trans	-60.4	-41.4	-175.4	-67	176.5	-178.9	0	0	113	E103 Q104	E100-E103 PolarHBondContact O-N 3.43Å; E100-Q104 WeakPolarHBondContact O-CB 3.47Å; E100-Q104 PolarHBondContact O-N 2.79Å
101	E	95.8	Very high	95.6	Very high	157 Å²	157	68 Å²	68	73%	0.734	35%	0.346	S	S	*	.	H	α-helix	trans	-63.8	-43.4	178.2	-63.2	176.3	178.4	0	0	111.5	N99 Q104 F105	N99-E101 PolarHBondContact O-N 3.37Å; N99-E101 PolarHBondContact OD1-N 3.22Å; E101-Q104 PolarHBondContact O-N 3.13Å; E101-F105 WeakPolarHBondContact O-CB 3.34Å; E101-F105 PolarHBondContact O-N 3.13Å
102	Q	96.4	Very high	95.4	Very high	59 Å²	59	71.7 Å²	71.7	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-66.3	-37.9	176.5	-73.4	174.3	-38.8	0	0	112.3	L98 N99 L106 Q163	L98-Q102 HydrophobicContact CB-CB 4.12Å; L98-Q102 HydrophobicContact CD2-CB 4.28Å; N99-Q102 VanDerWaalsContact N-OE1 3.09Å; N99-Q102 PolarHBondContact O-N 3.13Å; N99-Q102 WeakPolarHBondContact OD1-CB 3.42Å; N99-Q102 VanDerWaalsContact OD1-CG 3.29Å; N99-Q102 WeakPolarHBondContact OD1-CG 3.43Å; N99-Q102 PolarHBondContact OD1-N 3.28Å; Q102-L106 VanDerWaalsContact O-CB 3.25Å; Q102-L106 WeakPolarHBondContact O-CB 3.38Å; Q102-L106 PolarHBondContact O-N 3.22Å; Q102-Q163 PolarHBondContact O-NE2 2.99Å
103	E	95.5	Very high	95.4	Very high	63 Å²	63	71.6 Å²	71.6	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-64.4	-48.1	175	-74.2	179.6	-179.2	0	0	110.7	K96 L98 N99 E100 L106 Q107	K96-E103 WeakPolarHBondContact CE-OE1 3.44Å; K96-E103 IonicContact NZ-OE1 4Å; L98-E103 HydrophobicContact CB-CG 3.58Å; L98-E103 HydrophobicContact CD1-CG 4.11Å; L98-E103 HydrophobicContact CG-CG 4.48Å; N99-E103 WeakPolarHBondContact O-CG 3.35Å; N99-E103 PolarHBondContact O-N 3.02Å; E100-E103 PolarHBondContact O-N 3.43Å; E103-L106 PolarHBondContact O-N 3.21Å; E103-Q107 WeakPolarHBondContact O-CG 3.49Å; E103-Q107 PolarHBondContact O-N 2.97Å
104	Q	95.9	Very high	95.4	Very high	115 Å²	115	67.4 Å²	67.4	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-49.7	178.4	-176.6	180	-13.4	0	0	111.5	E100 E101 L106 Q107 E108	E100-Q104 WeakPolarHBondContact O-CB 3.47Å; E100-Q104 PolarHBondContact O-N 2.79Å; E101-Q104 PolarHBondContact O-N 3.13Å; Q104-L106 VanDerWaalsContact C-N 3.27Å; Q104-L106 PolarHBondContact O-N 3.41Å; Q104-Q107 WeakPolarHBondContact O-CB 3.39Å; Q104-Q107 PolarHBondContact O-N 3.31Å; Q104-Q107 VanDerWaalsContact O-N 3.08Å; Q104-E108 PolarHBondContact NE2-OE1 3.08Å; Q104-E108 VanDerWaalsContact NE2-OE1 3.17Å; Q104-E108 PolarHBondContact O-N 2.91Å; Q104-E108 VanDerWaalsContact O-N 3.09Å
105	F	95.6	Very high	95.4	Very high	81 Å²	81	72.6 Å²	72.6	36%	0.355	37%	0.366	S	S	.	.	H	α-helix	trans	-59.2	-40	178.7	-177.1	-122.7	0	0	0	111.9	E101 E108 L109 L159	E101-F105 WeakPolarHBondContact O-CB 3.34Å; E101-F105 PolarHBondContact O-N 3.13Å; F105-E108 PolarHBondContact O-N 3.4Å; F105-L109 HydrophobicContact CD1-CD1 4.17Å; F105-L109 HydrophobicContact CE1-CD1 3.77Å; F105-L109 HydrophobicContact CE2-CD1 4.47Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.93Å; F105-L109 HydrophobicContact CZ-CD2 4.46Å; F105-L109 HydrophobicContact CZ-CG 4.37Å; F105-L109 WeakPolarHBondContact O-CG 3.29Å; F105-L109 PolarHBondContact O-N 3.31Å; F105-L159 HydrophobicContact CD1-CD2 3.99Å; F105-L159 HydrophobicContact CE1-CD2 3.62Å
106	L	97.1	Very high	95.6	Very high	17 Å²	17	72.7 Å²	72.7	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-64.5	-40.3	175.7	-178.7	61.5	0	0	0	112.3	L98 Q102 E103 Q104 E108 L109 V110 Q163 R166 L167	L98-L106 HydrophobicContact CD1-CD2 3.83Å; Q102-L106 VanDerWaalsContact O-CB 3.25Å; Q102-L106 WeakPolarHBondContact O-CB 3.38Å; Q102-L106 PolarHBondContact O-N 3.22Å; E103-L106 PolarHBondContact O-N 3.21Å; Q104-L106 VanDerWaalsContact C-N 3.27Å; Q104-L106 PolarHBondContact O-N 3.41Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 3.02Å; L106-L109 PolarHBondContact O-N 2.95Å; L106-V110 HydrophobicContact CD1-CG2 4.25Å; L106-V110 HydrophobicContact CG-CG2 4.29Å; L106-V110 VanDerWaalsContact O-CG2 3.28Å; L106-V110 WeakPolarHBondContact O-CG2 3.27Å; L106-V110 PolarHBondContact O-N 2.98Å; L106-Q163 HydrophobicContact CB-CG 4.26Å; L106-Q163 HydrophobicContact CD1-CB 4.12Å; L106-Q163 HydrophobicContact CD1-CG 4.36Å; L106-Q163 HydrophobicContact CD2-CB 4.46Å; L106-Q163 HydrophobicContact CD2-CG 4.11Å; L106-Q163 HydrophobicContact CG-CG 4.48Å; L106-R166 HydrophobicContact CD1-CB 4.09Å; L106-R166 HydrophobicContact CD1-CG 4.09Å; L106-R166 HydrophobicContact CD2-CB 3.91Å; L106-R166 HydrophobicContact CD2-CG 3.95Å; L106-R166 HydrophobicContact CG-CB 4.46Å; L106-R166 HydrophobicContact CG-CG 4.22Å; L106-L167 HydrophobicContact CD1-CD2 4.12Å; L106-L167 HydrophobicContact CD1-CG 4.27Å
107	Q	94.8	Very high	95.8	Very high	142 Å²	142	66.1 Å²	66.1	66%	0.664	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-39.9	176.8	-72.7	172.8	15.3	0	0	111.8	E103 Q104 L109 V110	E103-Q107 WeakPolarHBondContact O-CG 3.49Å; E103-Q107 PolarHBondContact O-N 2.97Å; Q104-Q107 WeakPolarHBondContact O-CB 3.39Å; Q104-Q107 PolarHBondContact O-N 3.31Å; Q104-Q107 VanDerWaalsContact O-N 3.08Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.42Å; Q107-V110 PolarHBondContact O-N 3.46Å
108	E	94.6	Very high	96.2	Very high	111 Å²	111	70.7 Å²	70.7	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-30.1	177	-68.7	172.8	-168.4	0	0	112.6	Q104 F105 L106 P112	Q104-E108 PolarHBondContact NE2-OE1 3.08Å; Q104-E108 VanDerWaalsContact NE2-OE1 3.17Å; Q104-E108 PolarHBondContact O-N 2.91Å; Q104-E108 VanDerWaalsContact O-N 3.09Å; F105-E108 PolarHBondContact O-N 3.4Å; L106-E108 VanDerWaalsContact C-N 3.29Å; L106-E108 PolarHBondContact O-N 3.02Å; E108-P112 WeakPolarHBondContact O-CD 3.32Å; E108-P112 WeakPolarHBondContact O-CG 3.46Å
109	L	95.4	Very high	96.3	Very high	31 Å²	31	76.6 Å²	76.6	16%	0.162	38%	0.38	C	S	.	.	H	α-helix	trans	-81.3	-35.8	176.2	-66.7	176.6	0	0	0	113.6	F105 L106 Q107 G111 P112 V113 L157 L159 L167	F105-L109 HydrophobicContact CD1-CD1 4.17Å; F105-L109 HydrophobicContact CE1-CD1 3.77Å; F105-L109 HydrophobicContact CE2-CD1 4.47Å; F105-L109 HydrophobicContact CE2-CG 4.47Å; F105-L109 HydrophobicContact CZ-CD1 3.93Å; F105-L109 HydrophobicContact CZ-CD2 4.46Å; F105-L109 HydrophobicContact CZ-CG 4.37Å; F105-L109 WeakPolarHBondContact O-CG 3.29Å; F105-L109 PolarHBondContact O-N 3.31Å; L106-L109 PolarHBondContact O-N 2.95Å; Q107-L109 VanDerWaalsContact C-N 3.29Å; Q107-L109 PolarHBondContact O-N 3.42Å; L109-G111 PolarHBondContact O-N 3.46Å; L109-P112 WeakPolarHBondContact O-CD 3.36Å; L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 WeakPolarHBondContact O-CG2 3.22Å; L109-V113 PolarHBondContact O-N 2.92Å; L109-V113 VanDerWaalsContact O-N 3.09Å; L109-L157 HydrophobicContact CD1-CD1 4.43Å; L109-L159 HydrophobicContact CD1-CD1 4.24Å; L109-L159 HydrophobicContact CD1-CD2 3.87Å; L109-L167 HydrophobicContact CB-CD2 4.3Å; L109-L167 HydrophobicContact CD1-CD1 4.33Å
110	V	97.1	Very high	96.4	Very high	25 Å²	25	75.5 Å²	75.5	15%	0.152	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-46	-173.8	162.4	0	0	0	0	112	L106 Q107 V113 S114 R166 L167 I170	L106-V110 HydrophobicContact CD1-CG2 4.25Å; L106-V110 HydrophobicContact CG-CG2 4.29Å; L106-V110 VanDerWaalsContact O-CG2 3.28Å; L106-V110 WeakPolarHBondContact O-CG2 3.27Å; L106-V110 PolarHBondContact O-N 2.98Å; Q107-V110 PolarHBondContact O-N 3.46Å; V110-V113 PolarHBondContact O-N 3.32Å; V110-S114 WeakPolarHBondContact O-CB 3.1Å; V110-S114 PolarHBondContact O-N 2.9Å; V110-S114 PolarHBondContact O-OG 3.32Å; V110-R166 VanDerWaalsContact CG1-NH2 3.34Å; V110-R166 HydrophobicContact CG2-CG 3.86Å; V110-L167 HydrophobicContact CG2-CD2 4.15Å; V110-I170 HydrophobicContact CB-CD1 4.46Å; V110-I170 HydrophobicContact CG1-CD1 4.18Å; V110-I170 HydrophobicContact CG2-CD1 4.34Å
111	G	94.3	Very high	96.6	Very high	34 Å²	34	68.5 Å²	68.5	35%	0.351	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-56.3	-178	0	0	0	0	0	113.2	L109 V113 S114 K115	L109-G111 PolarHBondContact O-N 3.46Å; G111-V113 PolarHBondContact O-N 3.38Å; G111-S114 PolarHBondContact O-N 3.45Å; G111-K115 WeakPolarHBondContact O-CG 3.43Å; G111-K115 PolarHBondContact O-N 3.45Å
112	P	94.5	Very high	96.7	Very high	80 Å²	80	64.6 Å²	64.6	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-57.9	-42	175.7	-27.1	35.6	0	0	0	113.7	E108 L109 K115 F116	E108-P112 WeakPolarHBondContact O-CD 3.32Å; E108-P112 WeakPolarHBondContact O-CG 3.46Å; L109-P112 WeakPolarHBondContact O-CD 3.36Å; P112-K115 PolarHBondContact O-N 2.99Å; P112-F116 WeakPolarHBondContact O-CB 3.37Å; P112-F116 PolarHBondContact O-N 3.4Å
113	V	97.3	Very high	96.8	Very high	15 Å²	15	63.1 Å²	63.1	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-44.9	179.1	175.5	0	0	0	0	111	L109 V110 G111 F116 F117 M143 L167 I170	L109-V113 WeakPolarHBondContact O-CB 3.43Å; L109-V113 WeakPolarHBondContact O-CG2 3.22Å; L109-V113 PolarHBondContact O-N 2.92Å; L109-V113 VanDerWaalsContact O-N 3.09Å; V110-V113 PolarHBondContact O-N 3.32Å; G111-V113 PolarHBondContact O-N 3.38Å; V113-F116 PolarHBondContact O-N 3.21Å; V113-F117 HydrophobicContact CG1-CD2 4.22Å; V113-F117 HydrophobicContact CG1-CE2 4.26Å; V113-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 PolarHBondContact O-N 3.43Å; V113-M143 HydrophobicContact CB-CE 3.99Å; V113-M143 HydrophobicContact CG1-CE 4.22Å; V113-M143 HydrophobicContact CG2-CE 3.45Å; V113-M143 VanDerWaalsContact CG2-CE 3.45Å; V113-L167 HydrophobicContact CB-CD2 4.44Å; V113-L167 HydrophobicContact CG2-CD2 4.13Å; V113-I170 HydrophobicContact CB-CD1 4.15Å; V113-I170 HydrophobicContact CG1-CB 4.23Å; V113-I170 HydrophobicContact CG1-CD1 3.91Å; V113-I170 HydrophobicContact CG1-CG2 4.05Å
114	S	97.7	Very high	97	Very high	24 Å²	24	62.4 Å²	62.4	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-50.4	174.9	-77.6	0	0	0	0	111.8	V110 G111 F116 F117 E118	V110-S114 WeakPolarHBondContact O-CB 3.1Å; V110-S114 PolarHBondContact O-N 2.9Å; V110-S114 PolarHBondContact O-OG 3.32Å; G111-S114 PolarHBondContact O-N 3.45Å; S114-F116 VanDerWaalsContact C-N 3.29Å; S114-F116 PolarHBondContact O-N 3.44Å; S114-F117 PolarHBondContact O-N 3.32Å; S114-F117 VanDerWaalsContact O-N 3.08Å; S114-E118 VanDerWaalsContact O-CG 3.31Å; S114-E118 WeakPolarHBondContact O-CG 3.31Å; S114-E118 PolarHBondContact O-N 3.34Å
115	K	97.3	Very high	97.1	Very high	119 Å²	119	61.4 Å²	61.4	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-59.2	-39.4	178.9	-73.6	-175.8	177.8	-172.7	0	112.9	G111 P112 F117 E118 E119	G111-K115 WeakPolarHBondContact O-CG 3.43Å; G111-K115 PolarHBondContact O-N 3.45Å; P112-K115 PolarHBondContact O-N 2.99Å; K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 3.43Å; K115-E118 PolarHBondContact O-N 3.19Å; K115-E118 VanDerWaalsContact O-N 3.13Å; K115-E119 WeakPolarHBondContact O-CB 3.18Å; K115-E119 PolarHBondContact O-N 2.77Å
116	F	98.4	Very high	97.3	Very high	25 Å²	25	57.6 Å²	57.6	11%	0.11	31%	0.305	C	S	.	.	I	π-helix	trans	-57.1	-45	175.8	-178.2	-91.7	0	0	0	111.8	P112 V113 S114 E118 V120 N121 T136 L140 M143	P112-F116 WeakPolarHBondContact O-CB 3.37Å; P112-F116 PolarHBondContact O-N 3.4Å; V113-F116 PolarHBondContact O-N 3.21Å; S114-F116 VanDerWaalsContact C-N 3.29Å; S114-F116 PolarHBondContact O-N 3.44Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.09Å; F116-V120 HydrophobicContact CD2-CB 3.96Å; F116-V120 HydrophobicContact CD2-CG1 4.3Å; F116-V120 HydrophobicContact CD2-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CB 3.89Å; F116-V120 HydrophobicContact CE2-CG1 3.73Å; F116-V120 HydrophobicContact CE2-CG2 4.17Å; F116-V120 HydrophobicContact CG-CB 4.44Å; F116-V120 HydrophobicContact CZ-CB 4.32Å; F116-V120 HydrophobicContact CZ-CG1 4.04Å; F116-V120 WeakPolarHBondContact O-CA 3.33Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.48Å; F116-V120 PolarHBondContact O-N 3.49Å; F116-N121 PolarHBondContact O-N 3.05Å; F116-T136 HydrophobicContact CE1-CG2 4Å; F116-T136 HydrophobicContact CZ-CG2 4.03Å; F116-T136 WeakPolarHBondContact CZ-O 3.32Å; F116-L140 HydrophobicContact CD1-CD2 4.11Å; F116-L140 HydrophobicContact CE1-CD2 3.54Å; F116-L140 HydrophobicContact CE1-CG 3.67Å; F116-L140 HydrophobicContact CZ-CD2 4.24Å; F116-L140 HydrophobicContact CZ-CG 3.93Å; F116-M143 HydrophobicContact CB-CE 4.26Å; F116-M143 HydrophobicContact CB-SD 4.46Å; F116-M143 HydrophobicContact CD1-SD 4.01Å; F116-M143 HydrophobicContact CD2-SD 4.33Å; F116-M143 HydrophobicContact CE1-SD 4.37Å; F116-M143 HydrophobicContact CG-CE 4.41Å; F116-M143 HydrophobicContact CG-SD 3.99Å
117	F	98.4	Very high	97.4	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.026	30%	0.304	C	S	.	.	I	π-helix	trans	-77	-15.9	178.2	-79.9	-80.3	0	0	0	114.6	V113 S114 K115 N121 L140 I170 V171 H174 D175 V178	V113-F117 HydrophobicContact CG1-CD2 4.22Å; V113-F117 HydrophobicContact CG1-CE2 4.26Å; V113-F117 WeakPolarHBondContact O-CD2 3.34Å; V113-F117 PolarHBondContact O-N 3.43Å; S114-F117 PolarHBondContact O-N 3.32Å; S114-F117 VanDerWaalsContact O-N 3.08Å; K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 3.43Å; F117-N121 HydrophobicContact CD1-CB 3.96Å; F117-L140 HydrophobicContact CE2-CD2 4.39Å; F117-L140 HydrophobicContact CZ-CD2 4.06Å; F117-I170 HydrophobicContact CD2-CG2 4.26Å; F117-V171 HydrophobicContact CE1-CG1 4.1Å; F117-V171 HydrophobicContact CE2-CB 4.4Å; F117-V171 HydrophobicContact CE2-CG2 3.74Å; F117-V171 HydrophobicContact CZ-CB 4.07Å; F117-V171 HydrophobicContact CZ-CG1 3.77Å; F117-V171 HydrophobicContact CZ-CG2 3.72Å; F117-H174 HydrophobicContact CB-CB 3.81Å; F117-H174 HydrophobicContact CD1-CB 3.77Å; F117-H174 HydrophobicContact CG-CB 4.05Å; F117-H174 PolarHBondContact O-ND1 3.45Å; F117-H174 VanDerWaalsContact O-ND1 3.11Å; F117-D175 HydrophobicContact CE1-CB 4.49Å; F117-V178 HydrophobicContact CE1-CB 4.36Å; F117-V178 HydrophobicContact CE1-CG1 3.93Å; F117-V178 HydrophobicContact CZ-CG1 3.99Å
118	E	97.5	Very high	97.6	Very high	124 Å²	124	53.5 Å²	53.5	58%	0.579	30%	0.297	S	S	*	.	I	π-helix	trans	-88.6	-39.7	176	-71.7	167.6	-174.9	0	0	112.4	S114 K115 F116	S114-E118 VanDerWaalsContact O-CG 3.31Å; S114-E118 WeakPolarHBondContact O-CG 3.31Å; S114-E118 PolarHBondContact O-N 3.34Å; K115-E118 PolarHBondContact O-N 3.19Å; K115-E118 VanDerWaalsContact O-N 3.13Å; F116-E118 VanDerWaalsContact C-N 3.33Å; F116-E118 PolarHBondContact O-N 3.09Å
119	E	97.6	Very high	97.8	Very high	146 Å²	146	51.9 Å²	51.9	68%	0.682	29%	0.291	S	S	*	.	I	π-helix	trans	-109.1	-26	-167.3	-60.3	177.6	-171.2	0	0	113.3	K115	K115-E119 WeakPolarHBondContact O-CB 3.18Å; K115-E119 PolarHBondContact O-N 2.77Å
120	V	98.3	Very high	97.9	Very high	56 Å²	56	53.4 Å²	53.4	34%	0.339	30%	0.297	S	S	.	.	I	π-helix	trans	-108.4	-53.7	-175.4	-173.7	0	0	0	0	111.5	F116 D122 H135	F116-V120 HydrophobicContact CD2-CB 3.96Å; F116-V120 HydrophobicContact CD2-CG1 4.3Å; F116-V120 HydrophobicContact CD2-CG2 3.93Å; F116-V120 HydrophobicContact CE2-CB 3.89Å; F116-V120 HydrophobicContact CE2-CG1 3.73Å; F116-V120 HydrophobicContact CE2-CG2 4.17Å; F116-V120 HydrophobicContact CG-CB 4.44Å; F116-V120 HydrophobicContact CZ-CB 4.32Å; F116-V120 HydrophobicContact CZ-CG1 4.04Å; F116-V120 WeakPolarHBondContact O-CA 3.33Å; F116-V120 VanDerWaalsContact O-CB 3.28Å; F116-V120 WeakPolarHBondContact O-CB 3.48Å; F116-V120 PolarHBondContact O-N 3.49Å; V120-D122 PolarHBondContact O-N 3.43Å; V120-H135 PolarHBondContact O-NE2 2.7Å
121	N	98.7	Very high	98	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.048	31%	0.309	C	S	.	.			trans	-75.1	124.2	-175.9	-179.7	75.1	0	0	0	112.8	F116 F117 P123 N126 T136 D175	F116-N121 PolarHBondContact O-N 3.05Å; F117-N121 HydrophobicContact CD1-CB 3.96Å; N121-P123 WeakPolarHBondContact O-CD 3.45Å; N121-N126 PolarHBondContact OD1-ND2 3.17Å; N121-T136 HydrophobicContact CB-CG2 4.06Å; N121-T136 VanDerWaalsContact OD1-CG2 3.28Å; N121-T136 WeakPolarHBondContact OD1-CG2 3.36Å; N121-D175 PolarHBondContact ND2-OD2 2.79Å
122	D	98.8	Very high	98.2	Very high	75 Å²	75	55.4 Å²	55.4	40%	0.401	30%	0.295	S	S	.	.			trans	-104.5	105.1	166.9	-176.3	-21.9	0	0	0	111.4	V120 A124 K125 N126	V120-D122 PolarHBondContact O-N 3.43Å; D122-A124 VanDerWaalsContact C-N 3.34Å; D122-A124 PolarHBondContact O-N 3.47Å; D122-A124 WeakPolarHBondContact OD1-CA 3.41Å; D122-A124 WeakPolarHBondContact OD1-CB 3.47Å; D122-A124 PolarHBondContact OD1-N 3.31Å; D122-K125 HydrophobicContact CB-CB 3.71Å; D122-K125 VanDerWaalsContact CG-CB 3.45Å; D122-K125 PolarHBondContact O-N 3.05Å; D122-K125 PolarHBondContact OD1-N 2.93Å; D122-N126 VanDerWaalsContact O-CG 3.25Å; D122-N126 PolarHBondContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 2.58Å
123	P	98.7	Very high	98.4	Very high	27 Å²	27	53.2 Å²	53.2	18%	0.175	28%	0.278	C	S	.	.	H	α-helix	trans	-72.4	-24.1	-177.3	31.4	-37.6	0	0	0	114.1	N121 D127 D175 R454	N121-P123 WeakPolarHBondContact O-CD 3.45Å; P123-D127 PolarHBondContact O-N 3Å; P123-D175 VanDerWaalsContact CA-OD2 3.25Å; P123-D175 WeakPolarHBondContact CA-OD2 3.45Å; P123-D175 HydrophobicContact CB-CB 3.9Å; P123-D175 VanDerWaalsContact CB-OD2 3.31Å; P123-D175 WeakPolarHBondContact CB-OD2 3.34Å; P123-R454 VanDerWaalsContact CG-NH2 3.31Å
124	A	98.8	Very high	98.5	Very high	49 Å²	49	57.8 Å²	57.8	41%	0.405	30%	0.302	S	S	.	.	H	α-helix	trans	-75.2	-36	175	0	0	0	0	0	110.8	D122 A128	D122-A124 VanDerWaalsContact C-N 3.34Å; D122-A124 PolarHBondContact O-N 3.47Å; D122-A124 WeakPolarHBondContact OD1-CA 3.41Å; D122-A124 WeakPolarHBondContact OD1-CB 3.47Å; D122-A124 PolarHBondContact OD1-N 3.31Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.35Å
125	K	98.8	Very high	98.5	Very high	94 Å²	94	61.5 Å²	61.5	41%	0.409	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-46	174.1	-171.6	63.6	172.6	-164.1	0	111.8	D122 D127 A128 L129 E133	D122-K125 HydrophobicContact CB-CB 3.71Å; D122-K125 VanDerWaalsContact CG-CB 3.45Å; D122-K125 PolarHBondContact O-N 3.05Å; D122-K125 PolarHBondContact OD1-N 2.93Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 3Å; K125-A128 PolarHBondContact O-N 3.46Å; K125-A128 VanDerWaalsContact O-N 3.16Å; K125-L129 HydrophobicContact CD-CD1 4.29Å; K125-L129 HydrophobicContact CD-CG 4.34Å; K125-L129 HydrophobicContact CG-CD1 3.98Å; K125-L129 HydrophobicContact CG-CG 4.41Å; K125-L129 WeakPolarHBondContact O-CB 3.42Å; K125-L129 WeakPolarHBondContact O-CG 3.04Å; K125-L129 PolarHBondContact O-N 2.92Å; K125-E133 HydrophobicContact CG-CG 4.08Å; K125-E133 VanDerWaalsContact CG-OE1 3.3Å; K125-E133 WeakPolarHBondContact CG-OE1 3.44Å; K125-E133 WeakPolarHBondContact CG-OE2 3.4Å
126	N	98.9	Very high	98.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-45.3	173.7	-71.6	-24.6	0	0	0	112.2	N121 D122 L129 E130 K131 E133 D175 A308	N121-N126 PolarHBondContact OD1-ND2 3.17Å; D122-N126 VanDerWaalsContact O-CG 3.25Å; D122-N126 PolarHBondContact O-N 3.08Å; D122-N126 PolarHBondContact O-ND2 2.58Å; N126-L129 PolarHBondContact O-N 3.32Å; N126-E130 PolarHBondContact O-N 3.39Å; N126-K131 WeakPolarHBondContact CA-O 3.28Å; N126-K131 PolarHBondContact O-N 2.92Å; N126-E133 PolarHBondContact OD1-N 3.27Å; N126-D175 PolarHBondContact ND2-OD2 2.84Å; N126-A308 HydrophobicContact CB-CB 3.73Å
127	D	98.9	Very high	98.5	Very high	11 Å²	11	56 Å²	56	6%	0.059	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.1	178.8	76.4	0	0	0	112.4	P123 K125 E130 K307 R454 R457	P123-D127 PolarHBondContact O-N 3Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 3Å; D127-E130 PolarHBondContact O-N 3.45Å; D127-K307 VanDerWaalsContact OD1-CD 3.32Å; D127-K307 WeakPolarHBondContact OD1-CD 3.31Å; D127-K307 WeakPolarHBondContact OD1-CG 3.42Å; D127-R454 HydrophobicContact CB-CG 4.25Å; D127-R457 IonicContact OD1-CZ 3.09Å; D127-R457 IonicContact OD1-NH1 3.7Å; D127-R457 PolarHBondContact OD1-NH1 3.06Å; D127-R457 IonicContact OD1-NH2 3.65Å; D127-R457 IonicContact OD2-CZ 3.83Å; D127-R457 IonicContact OD2-NH1 3.53Å; D127-R457 PolarHBondContact OD2-NH1 3.4Å; D127-R457 IonicContact OD2-NH2 3.8Å; D127-R457 PolarHBondContact OD2-NH2 3.09Å
128	A	98.8	Very high	98.5	Very high	63 Å²	63	60 Å²	60	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-70.5	-35.8	179.7	0	0	0	0	0	113.2	A124 K125 E130	A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.35Å; K125-A128 PolarHBondContact O-N 3.46Å; K125-A128 VanDerWaalsContact O-N 3.16Å; A128-E130 VanDerWaalsContact C-N 3.3Å
129	L	98.8	Very high	98.6	Very high	77 Å²	77	54.7 Å²	54.7	40%	0.403	29%	0.291	S	S	.	.	H	α-helix	trans	-78	-17.3	176.4	-69.7	176.3	0	0	0	112.9	K125 N126 K131 E133	K125-L129 HydrophobicContact CD-CD1 4.29Å; K125-L129 HydrophobicContact CD-CG 4.34Å; K125-L129 HydrophobicContact CG-CD1 3.98Å; K125-L129 HydrophobicContact CG-CG 4.41Å; K125-L129 WeakPolarHBondContact O-CB 3.42Å; K125-L129 WeakPolarHBondContact O-CG 3.04Å; K125-L129 PolarHBondContact O-N 2.92Å; N126-L129 PolarHBondContact O-N 3.32Å; L129-K131 HydrophobicContact CB-CG 4.01Å; L129-K131 PolarHBondContact O-N 2.92Å; L129-E133 HydrophobicContact CD1-CG 3.56Å
130	E	98.8	Very high	98.6	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.3	-170.8	-50.3	-173.1	-154.8	0	0	113.3	N126 D127 A128 K302 K307	N126-E130 PolarHBondContact O-N 3.39Å; D127-E130 PolarHBondContact O-N 3.45Å; A128-E130 VanDerWaalsContact C-N 3.3Å; E130-K302 IonicContact OE1-NZ 3.03Å; E130-K302 PolarHBondContact OE1-NZ 3.21Å; E130-K302 WeakPolarHBondContact OE2-CD 3.49Å; E130-K302 WeakPolarHBondContact OE2-CE 3.37Å; E130-K302 IonicContact OE2-NZ 3.66Å; E130-K302 PolarHBondContact OE2-NZ 3.27Å; E130-K307 CarbonylContact C-O 3.44Å; E130-K307 WeakPolarHBondContact CA-O 3.43Å; E130-K307 HydrophobicContact CB-CB 4.38Å; E130-K307 HydrophobicContact CG-CB 4.14Å; E130-K307 HydrophobicContact CG-CD 4.21Å
131	K	98.8	Very high	98.6	Very high	92 Å²	92	47.8 Å²	47.8	40%	0.4	25%	0.254	S	S	.	.	S	Bend	trans	-153.9	157	170.6	63.8	166.1	-169	155.6	0	109.3	N126 L129 D134 A308	N126-K131 WeakPolarHBondContact CA-O 3.28Å; N126-K131 PolarHBondContact O-N 2.92Å; L129-K131 HydrophobicContact CB-CG 4.01Å; L129-K131 PolarHBondContact O-N 2.92Å; K131-D134 IonicContact NZ-OD1 3.99Å; K131-D134 PolarHBondContact NZ-OD1 3.21Å; K131-D134 IonicContact NZ-OD2 3.43Å; K131-D134 PolarHBondContact NZ-OD2 3Å; K131-D134 VanDerWaalsContact NZ-OD2 3.1Å; K131-A308 WeakPolarHBondContact CA-O 3.35Å
132	V	98.8	Very high	98.5	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	29%	0.287	C	S	.	.			trans	-65.8	134.6	165.6	-177.3	0	0	0	0	108.5	T136 M137 V178 A308	V132-T136 HydrophobicContact CG1-CG2 3.81Å; V132-M137 HydrophobicContact CB-CE 4.07Å; V132-M137 HydrophobicContact CG1-CB 4.31Å; V132-M137 HydrophobicContact CG1-CE 4.35Å; V132-M137 HydrophobicContact CG2-CE 4.42Å; V132-V178 HydrophobicContact CG1-CG2 4.16Å; V132-V178 HydrophobicContact CG2-CG2 3.9Å; V132-A308 HydrophobicContact CG2-CB 4.25Å
133	E	98.6	Very high	98.3	Very high	34 Å²	34	53.8 Å²	53.8	16%	0.159	28%	0.28	C	S	.	.			trans	-58.5	142.8	175.4	-73.5	-173.6	103.8	0	0	112	K125 N126 L129 H135 T136 M137	K125-E133 HydrophobicContact CG-CG 4.08Å; K125-E133 VanDerWaalsContact CG-OE1 3.3Å; K125-E133 WeakPolarHBondContact CG-OE1 3.44Å; K125-E133 WeakPolarHBondContact CG-OE2 3.4Å; N126-E133 PolarHBondContact OD1-N 3.27Å; L129-E133 HydrophobicContact CD1-CG 3.56Å; E133-H135 VanDerWaalsContact C-N 3.3Å; E133-H135 PolarHBondContact O-N 3.48Å; E133-H135 IonicContact OE1-CE1 2.86Å; E133-H135 IonicContact OE2-CE1 2.83Å; E133-T136 WeakPolarHBondContact O-CB 3.32Å; E133-T136 PolarHBondContact O-N 3.49Å; E133-T136 VanDerWaalsContact O-N 3.11Å; E133-M137 PolarHBondContact O-N 2.95Å
134	D	98.4	Very high	98.2	Very high	111 Å²	111	53.2 Å²	53.2	59%	0.594	28%	0.279	S	S	*	.	H	α-helix	trans	-63.8	-36.4	-170.2	-56.2	-30.1	0	0	0	111.6	K131 M137 E138	K131-D134 IonicContact NZ-OD1 3.99Å; K131-D134 PolarHBondContact NZ-OD1 3.21Å; K131-D134 IonicContact NZ-OD2 3.43Å; K131-D134 PolarHBondContact NZ-OD2 3Å; K131-D134 VanDerWaalsContact NZ-OD2 3.1Å; D134-M137 PolarHBondContact O-N 3.25Å; D134-E138 PolarHBondContact O-N 2.67Å
135	H	97.9	Very high	98.2	Very high	102 Å²	102	51.3 Å²	51.3	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-36.8	176	74.2	-85	0	0	0	112.6	V120 E133 E138 G139	V120-H135 PolarHBondContact O-NE2 2.7Å; E133-H135 VanDerWaalsContact C-N 3.3Å; E133-H135 PolarHBondContact O-N 3.48Å; E133-H135 IonicContact OE1-CE1 2.86Å; E133-H135 IonicContact OE2-CE1 2.83Å; H135-E138 PolarHBondContact O-N 3.02Å; H135-G139 PolarHBondContact O-N 3.41Å
136	T	98.7	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-44.9	172.1	-59.2	0	0	0	0	110.5	F116 N121 V132 E133 E138 G139 L140	F116-T136 HydrophobicContact CE1-CG2 4Å; F116-T136 HydrophobicContact CZ-CG2 4.03Å; F116-T136 WeakPolarHBondContact CZ-O 3.32Å; N121-T136 HydrophobicContact CB-CG2 4.06Å; N121-T136 VanDerWaalsContact OD1-CG2 3.28Å; N121-T136 WeakPolarHBondContact OD1-CG2 3.36Å; V132-T136 HydrophobicContact CG1-CG2 3.81Å; E133-T136 WeakPolarHBondContact O-CB 3.32Å; E133-T136 PolarHBondContact O-N 3.49Å; E133-T136 VanDerWaalsContact O-N 3.11Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 2.94Å; T136-G139 PolarHBondContact O-N 2.92Å; T136-L140 HydrophobicContact CG2-CD1 4.06Å; T136-L140 HydrophobicContact CG2-CG 4.42Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 WeakPolarHBondContact O-CG 3.39Å; T136-L140 PolarHBondContact O-N 3.44Å
137	M	98.7	Very high	98.1	Very high	29 Å²	29	46.9 Å²	46.9	14%	0.143	24%	0.244	C	C	.	.	H	α-helix	trans	-58	-45.3	176.8	177.5	62.2	67	0	0	111.4	V132 E133 D134 L140 K141 F146 T181	V132-M137 HydrophobicContact CB-CE 4.07Å; V132-M137 HydrophobicContact CG1-CB 4.31Å; V132-M137 HydrophobicContact CG1-CE 4.35Å; V132-M137 HydrophobicContact CG2-CE 4.42Å; E133-M137 PolarHBondContact O-N 2.95Å; D134-M137 PolarHBondContact O-N 3.25Å; M137-L140 PolarHBondContact O-N 2.97Å; M137-K141 WeakPolarHBondContact O-CG 3.38Å; M137-K141 PolarHBondContact O-N 3.23Å; M137-F146 HydrophobicContact CE-CZ 4.48Å; M137-F146 HydrophobicContact SD-CE1 4.46Å; M137-F146 HydrophobicContact SD-CE2 4.06Å; M137-F146 HydrophobicContact SD-CZ 3.47Å; M137-F146 WeakPolarHBondContact SD-CZ 3.26Å; M137-T181 HydrophobicContact CE-CG2 4.22Å
138	E	98.4	Very high	98.1	Very high	90 Å²	90	47 Å²	47	42%	0.421	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-45.6	178.7	-165.2	57.9	-152.2	0	0	111.9	D134 H135 T136 L140 K141 E142	D134-E138 PolarHBondContact O-N 2.67Å; H135-E138 PolarHBondContact O-N 3.02Å; T136-E138 VanDerWaalsContact C-N 3.32Å; T136-E138 PolarHBondContact O-N 2.94Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.03Å; E138-K141 WeakPolarHBondContact O-CA 3.42Å; E138-K141 WeakPolarHBondContact O-CB 3.28Å; E138-K141 PolarHBondContact O-N 2.94Å; E138-K141 IonicContact OE2-NZ 3.75Å; E138-E142 PolarHBondContact O-N 3.38Å
139	G	97.9	Very high	98.1	Very high	13 Å²	13	45.2 Å²	45.2	13%	0.134	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-35.2	176.3	0	0	0	0	0	113.4	H135 T136 K141 E142 M143	H135-G139 PolarHBondContact O-N 3.41Å; T136-G139 PolarHBondContact O-N 2.92Å; G139-K141 VanDerWaalsContact C-N 3.32Å; G139-K141 PolarHBondContact O-N 3.2Å; G139-E142 PolarHBondContact O-N 2.91Å; G139-M143 WeakPolarHBondContact O-CB 3.42Å; G139-M143 VanDerWaalsContact O-CG 3.29Å; G139-M143 WeakPolarHBondContact O-CG 3.41Å; G139-M143 PolarHBondContact O-N 3.26Å
140	L	98.3	Very high	98.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-34.9	172.3	-73.1	169.2	0	0	0	112.5	F116 F117 T136 M137 E138 M143 A145 F146 V178 L182	F116-L140 HydrophobicContact CD1-CD2 4.11Å; F116-L140 HydrophobicContact CE1-CD2 3.54Å; F116-L140 HydrophobicContact CE1-CG 3.67Å; F116-L140 HydrophobicContact CZ-CD2 4.24Å; F116-L140 HydrophobicContact CZ-CG 3.93Å; F117-L140 HydrophobicContact CE2-CD2 4.39Å; F117-L140 HydrophobicContact CZ-CD2 4.06Å; T136-L140 HydrophobicContact CG2-CD1 4.06Å; T136-L140 HydrophobicContact CG2-CG 4.42Å; T136-L140 WeakPolarHBondContact O-CB 3.43Å; T136-L140 WeakPolarHBondContact O-CG 3.39Å; T136-L140 PolarHBondContact O-N 3.44Å; M137-L140 PolarHBondContact O-N 2.97Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.03Å; L140-M143 HydrophobicContact CD2-SD 3.84Å; L140-M143 WeakPolarHBondContact O-CG 3.47Å; L140-A145 HydrophobicContact CB-CB 4.24Å; L140-A145 HydrophobicContact CD2-CB 3.96Å; L140-A145 WeakPolarHBondContact O-CB 3.49Å; L140-A145 PolarHBondContact O-N 3.07Å; L140-F146 HydrophobicContact CB-CE2 3.9Å; L140-V178 HydrophobicContact CD1-CG1 3.64Å; L140-L182 HydrophobicContact CD1-CD1 4.48Å; L140-L182 HydrophobicContact CD2-CD1 4.18Å
141	K	98.2	Very high	98.1	Very high	55 Å²	55	40.9 Å²	40.9	24%	0.239	21%	0.207	C	C	.	.	H	α-helix	trans	-70.1	-48.6	173.6	-67.3	175.6	-172.9	172.7	0	111.1	M137 E138 G139 M143 G144 F146 G212	M137-K141 WeakPolarHBondContact O-CG 3.38Å; M137-K141 PolarHBondContact O-N 3.23Å; E138-K141 WeakPolarHBondContact O-CA 3.42Å; E138-K141 WeakPolarHBondContact O-CB 3.28Å; E138-K141 PolarHBondContact O-N 2.94Å; E138-K141 IonicContact OE2-NZ 3.75Å; G139-K141 VanDerWaalsContact C-N 3.32Å; G139-K141 PolarHBondContact O-N 3.2Å; K141-M143 VanDerWaalsContact C-N 3.28Å; K141-M143 PolarHBondContact O-N 3.23Å; K141-G144 PolarHBondContact O-N 3.34Å; K141-F146 HydrophobicContact CB-CD2 4.47Å; K141-F146 HydrophobicContact CG-CD2 3.82Å; K141-F146 HydrophobicContact CG-CE2 3.7Å; K141-F146 HydrophobicContact CG-CZ 4.48Å; K141-G212 VanDerWaalsContact CE-O 3.3Å; K141-G212 WeakPolarHBondContact CE-O 3.08Å
142	E	95.9	Very high	98	Very high	156 Å²	156	40 Å²	40	73%	0.729	22%	0.217	S	C	*	.	H	α-helix	trans	-58.7	-38.5	-179.6	-70.8	-177.9	167.4	0	0	112.5	E138 G139 G144	E138-E142 PolarHBondContact O-N 3.38Å; G139-E142 PolarHBondContact O-N 2.91Å; E142-G144 PolarHBondContact O-N 2.72Å
143	M	95.2	Very high	98	Very high	53 Å²	53	46.2 Å²	46.2	26%	0.261	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.4	177.4	75.4	-174.4	-56.2	0	0	114.3	V113 F116 G139 L140 K141 A145	V113-M143 HydrophobicContact CB-CE 3.99Å; V113-M143 HydrophobicContact CG1-CE 4.22Å; V113-M143 HydrophobicContact CG2-CE 3.45Å; V113-M143 VanDerWaalsContact CG2-CE 3.45Å; F116-M143 HydrophobicContact CB-CE 4.26Å; F116-M143 HydrophobicContact CB-SD 4.46Å; F116-M143 HydrophobicContact CD1-SD 4.01Å; F116-M143 HydrophobicContact CD2-SD 4.33Å; F116-M143 HydrophobicContact CE1-SD 4.37Å; F116-M143 HydrophobicContact CG-CE 4.41Å; F116-M143 HydrophobicContact CG-SD 3.99Å; G139-M143 WeakPolarHBondContact O-CB 3.42Å; G139-M143 VanDerWaalsContact O-CG 3.29Å; G139-M143 WeakPolarHBondContact O-CG 3.41Å; G139-M143 PolarHBondContact O-N 3.26Å; L140-M143 HydrophobicContact CD2-SD 3.84Å; L140-M143 WeakPolarHBondContact O-CG 3.47Å; K141-M143 VanDerWaalsContact C-N 3.28Å; K141-M143 PolarHBondContact O-N 3.23Å; M143-A145 HydrophobicContact CG-CB 3.91Å; M143-A145 HydrophobicContact SD-CB 4.2Å
144	G	97.1	Very high	97.9	Very high	16 Å²	16	45.9 Å²	45.9	17%	0.165	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	18.8	180	0	0	0	0	0	115.2	K141 E142 F146 G147	K141-G144 PolarHBondContact O-N 3.34Å; E142-G144 PolarHBondContact O-N 2.72Å; G144-F146 PolarHBondContact O-N 3.47Å; G144-F146 VanDerWaalsContact O-N 3.13Å; G144-G147 PolarHBondContact O-N 3.12Å; G144-G147 VanDerWaalsContact O-N 3.11Å
145	A	98.1	Very high	97.8	Very high	9 Å²	9	43 Å²	43	7%	0.074	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.6	-175.3	0	0	0	0	0	114.1	L140 M143 L182 Q186	L140-A145 HydrophobicContact CB-CB 4.24Å; L140-A145 HydrophobicContact CD2-CB 3.96Å; L140-A145 WeakPolarHBondContact O-CB 3.49Å; L140-A145 PolarHBondContact O-N 3.07Å; M143-A145 HydrophobicContact CG-CB 3.91Å; M143-A145 HydrophobicContact SD-CB 4.2Å; A145-L182 HydrophobicContact CB-CD1 4.3Å; A145-L182 HydrophobicContact CB-CD2 4.33Å; A145-Q186 PolarHBondContact O-NE2 3.47Å
146	F	98.6	Very high	97.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	176.6	-76.7	-98.3	0	0	0	112.9	M137 L140 K141 G144 L182 H185 A210 I215	M137-F146 HydrophobicContact CE-CZ 4.48Å; M137-F146 HydrophobicContact SD-CE1 4.46Å; M137-F146 HydrophobicContact SD-CE2 4.06Å; M137-F146 HydrophobicContact SD-CZ 3.47Å; M137-F146 WeakPolarHBondContact SD-CZ 3.26Å; L140-F146 HydrophobicContact CB-CE2 3.9Å; K141-F146 HydrophobicContact CB-CD2 4.47Å; K141-F146 HydrophobicContact CG-CD2 3.82Å; K141-F146 HydrophobicContact CG-CE2 3.7Å; K141-F146 HydrophobicContact CG-CZ 4.48Å; G144-F146 PolarHBondContact O-N 3.47Å; G144-F146 VanDerWaalsContact O-N 3.13Å; F146-L182 HydrophobicContact CD1-CD2 4.27Å; F146-L182 HydrophobicContact CD2-CD2 3.94Å; F146-L182 HydrophobicContact CE1-CD2 4Å; F146-L182 HydrophobicContact CE2-CD2 3.66Å; F146-L182 HydrophobicContact CG-CD2 4.22Å; F146-L182 HydrophobicContact CZ-CD2 3.66Å; F146-H185 AromaticContact CD1-CD2 3.41Å; F146-H185 VanDerWaalsContact CD1-CD2 3.41Å; F146-H185 WeakPolarHBondContact CD1-CD2 3.33Å; F146-H185 AromaticContact CD1-CG 3.92Å; F146-H185 AromaticContact CD1-NE2 3.53Å; F146-H185 PolarHBondContact O-CD2 3.16Å; F146-H185 VanDerWaalsContact O-CD2 3.25Å; F146-H185 PolarHBondContact O-NE2 2.99Å; F146-H185 VanDerWaalsContact O-NE2 3.11Å; F146-A210 CarbonylContact C-O 3.53Å; F146-I215 HydrophobicContact CE1-CD1 4.46Å; F146-I215 HydrophobicContact CE1-CG1 4.15Å
147	G	98.3	Very high	97.7	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.			trans	-121.2	28.9	-170.9	0	0	0	0	0	115.4	G144 Q149 V150 G156 L157 A210	G144-G147 PolarHBondContact O-N 3.12Å; G144-G147 VanDerWaalsContact O-N 3.11Å; G147-Q149 VanDerWaalsContact C-N 3.32Å; G147-Q149 PolarHBondContact O-N 3.11Å; G147-V150 PolarHBondContact O-N 3.29Å; G147-V150 VanDerWaalsContact O-N 3.15Å; G147-G156 WeakPolarHBondContact O-CA 3.44Å; G147-L157 PolarHBondContact O-N 3.07Å; G147-A210 WeakPolarHBondContact CA-O 3.36Å; G147-A210 PolarHBondContact N-O 2.95Å; G147-A210 VanDerWaalsContact N-O 3.11Å
148	L	98.6	Very high	97.7	Very high	14 Å²	14	41.6 Å²	41.6	7%	0.073	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-44.4	-169.4	-60.8	-177.7	0	0	0	112.9	L157 G158 L159 Y164 L167 Q186	L148-L157 HydrophobicContact CD2-CD1 3.61Å; L148-G158 PolarHBondContact O-N 3.19Å; L148-L159 HydrophobicContact CB-CD1 4.17Å; L148-L159 HydrophobicContact CD2-CD1 4.27Å; L148-L159 WeakPolarHBondContact O-CB 3.49Å; L148-L159 VanDerWaalsContact O-CG 3.28Å; L148-L159 WeakPolarHBondContact O-CG 3.42Å; L148-L159 PolarHBondContact O-N 3.45Å; L148-Y164 HydrophobicContact CB-CD2 3.78Å; L148-Y164 HydrophobicContact CB-CE2 4.17Å; L148-Y164 HydrophobicContact CD1-CD2 3.76Å; L148-Y164 HydrophobicContact CD1-CE2 3.79Å; L148-Y164 HydrophobicContact CG-CD2 4.41Å; L148-L167 HydrophobicContact CD1-CB 4.4Å; L148-L167 HydrophobicContact CD1-CD1 4.42Å; L148-L167 HydrophobicContact CD2-CD1 3.98Å; L148-Q186 VanDerWaalsContact CB-OE1 3.28Å
149	Q	98.4	Very high	97.7	Very high	25 Å²	25	37.8 Å²	37.8	12%	0.117	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	1.4	-178	-54.3	-165.8	-74.1	0	0	113.8	G147 N161 Y164 L194	G147-Q149 VanDerWaalsContact C-N 3.32Å; G147-Q149 PolarHBondContact O-N 3.11Å; Q149-N161 PolarHBondContact NE2-OD1 3.13Å; Q149-N161 VanDerWaalsContact NE2-OD1 3.11Å; Q149-Y164 HydrophobicContact CG-CD2 3.56Å; Q149-Y164 HydrophobicContact CG-CE2 4.16Å; Q149-Y164 HydrophobicContact CG-CG 3.78Å; Q149-L194 HydrophobicContact CB-CD1 4.45Å
150	V	98.7	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-73.4	133.8	176.2	175.1	0	0	0	0	108.1	G147 L154 G156 L157 G158 F190 L194 L206 A210	G147-V150 PolarHBondContact O-N 3.29Å; G147-V150 VanDerWaalsContact O-N 3.15Å; V150-L154 HydrophobicContact CG1-CB 3.9Å; V150-G156 CarbonylContact O-C 3.52Å; V150-G156 VanDerWaalsContact O-CA 3.26Å; V150-G156 WeakPolarHBondContact O-CA 3.47Å; V150-L157 PolarHBondContact O-N 3.12Å; V150-G158 WeakPolarHBondContact O-CA 3.11Å; V150-G158 PolarHBondContact O-N 3.14Å; V150-F190 HydrophobicContact CG2-CE2 3.46Å; V150-F190 VanDerWaalsContact CG2-CE2 3.46Å; V150-F190 HydrophobicContact CG2-CZ 3.58Å; V150-L194 HydrophobicContact CG2-CD2 4.42Å; V150-L206 HydrophobicContact CG1-CB 3.95Å; V150-L206 HydrophobicContact CG2-CD2 4.3Å; V150-A210 HydrophobicContact CB-CB 3.97Å; V150-A210 HydrophobicContact CG1-CB 3.98Å; V150-A210 HydrophobicContact CG2-CB 4.07Å
151	P	98.4	Very high	97.7	Very high	48 Å²	48	39 Å²	39	31%	0.312	24%	0.243	S	C	.	.			trans	-53.1	145.6	176.3	-29.5	37.6	0	0	0	112.9	D153 L154 G155 G156	P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 WeakPolarHBondContact CB-OD1 3.44Å; P151-D153 PolarHBondContact O-N 3.28Å; P151-L154 HydrophobicContact CB-CB 4.45Å; P151-L154 HydrophobicContact CB-CD1 4.27Å; P151-L154 HydrophobicContact CG-CD1 4.19Å; P151-L154 CarbonylContact O-C 3.57Å; P151-L154 WeakPolarHBondContact O-CA 3.41Å; P151-L154 PolarHBondContact O-N 3.27Å; P151-G155 PolarHBondContact O-N 3.45Å; P151-G156 PolarHBondContact O-N 2.83Å; P151-G156 VanDerWaalsContact O-N 3.15Å
152	A	96.9	Very high	97.8	Very high	73 Å²	73	37 Å²	37	60%	0.603	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-62.3	-36	-175.9	0	0	0	0	0	112.9	L154 G155 G156	A152-L154 PolarHBondContact O-N 2.95Å; A152-G155 PolarHBondContact O-N 3.5Å; A152-G155 VanDerWaalsContact O-N 3.08Å; A152-G156 WeakPolarHBondContact CA-O 3.42Å
153	D	97.8	Very high	97.9	Very high	141 Å²	141	29.9 Å²	29.9	75%	0.754	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-67.1	-13.4	174.1	63.5	-41.7	0	0	0	113.6	P151	P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 WeakPolarHBondContact CB-OD1 3.44Å; P151-D153 PolarHBondContact O-N 3.28Å
154	L	98.3	Very high	98.1	Very high	26 Å²	26	27.7 Å²	27.7	14%	0.136	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-110.4	17.8	175	-64.4	170.2	0	0	0	112.1	V150 P151 A152 K202 E203 L206 P207	V150-L154 HydrophobicContact CG1-CB 3.9Å; P151-L154 HydrophobicContact CB-CB 4.45Å; P151-L154 HydrophobicContact CB-CD1 4.27Å; P151-L154 HydrophobicContact CG-CD1 4.19Å; P151-L154 CarbonylContact O-C 3.57Å; P151-L154 WeakPolarHBondContact O-CA 3.41Å; P151-L154 PolarHBondContact O-N 3.27Å; A152-L154 PolarHBondContact O-N 2.95Å; L154-K202 HydrophobicContact CD1-CB 4.34Å; L154-E203 HydrophobicContact CD2-CG 4.15Å; L154-L206 HydrophobicContact CB-CB 4.35Å; L154-L206 HydrophobicContact CD1-CD1 3.89Å; L154-P207 VanDerWaalsContact O-CA 3.29Å; L154-P207 WeakPolarHBondContact O-CA 3.42Å
155	G	96.1	Very high	98.2	Very high	52 Å²	52	26.9 Å²	26.9	54%	0.536	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	11.6	171.4	0	0	0	0	0	115.8	P151 A152 A210	P151-G155 PolarHBondContact O-N 3.45Å; A152-G155 PolarHBondContact O-N 3.5Å; A152-G155 VanDerWaalsContact O-N 3.08Å; G155-A210 WeakPolarHBondContact O-CB 3.37Å
156	G	97.9	Very high	98.2	Very high	13 Å²	13	29.8 Å²	29.8	13%	0.134	19%	0.192	C	C	.	.	S	Bend	trans	-101.1	-168.9	174.6	0	0	0	0	0	114.6	G147 V150 P151 A152	G147-G156 WeakPolarHBondContact O-CA 3.44Å; V150-G156 CarbonylContact O-C 3.52Å; V150-G156 VanDerWaalsContact O-CA 3.26Å; V150-G156 WeakPolarHBondContact O-CA 3.47Å; P151-G156 PolarHBondContact O-N 2.83Å; P151-G156 VanDerWaalsContact O-N 3.15Å; A152-G156 WeakPolarHBondContact CA-O 3.42Å
157	L	96.9	Very high	98.2	Very high	47 Å²	47	30 Å²	30	25%	0.246	19%	0.193	C	C	.	.			trans	-92.2	-9.2	177.6	-60.4	-173.1	0	0	0	114	L109 G147 L148 V150 L159	L109-L157 HydrophobicContact CD1-CD1 4.43Å; G147-L157 PolarHBondContact O-N 3.07Å; L148-L157 HydrophobicContact CD2-CD1 3.61Å; V150-L157 PolarHBondContact O-N 3.12Å; L157-L159 VanDerWaalsContact C-N 3.27Å; L157-L159 HydrophobicContact CB-CD2 4.28Å; L157-L159 HydrophobicContact CB-CG 3.94Å; L157-L159 PolarHBondContact O-N 3.02Å
158	G	97.7	Very high	98.2	Very high	41 Å²	41	30.9 Å²	30.9	42%	0.423	20%	0.198	S	C	.	.			trans	65.3	23.8	176.5	0	0	0	0	0	115.1	L148 V150	L148-G158 PolarHBondContact O-N 3.19Å; V150-G158 WeakPolarHBondContact O-CA 3.11Å; V150-G158 PolarHBondContact O-N 3.14Å
159	L	98.4	Very high	98.2	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.047	20%	0.197	C	C	.	.			trans	-69.7	139.8	-174.4	-58.3	-172.5	0	0	0	112.6	F105 L109 L148 L157 Q163 L167	F105-L159 HydrophobicContact CD1-CD2 3.99Å; F105-L159 HydrophobicContact CE1-CD2 3.62Å; L109-L159 HydrophobicContact CD1-CD1 4.24Å; L109-L159 HydrophobicContact CD1-CD2 3.87Å; L148-L159 HydrophobicContact CB-CD1 4.17Å; L148-L159 HydrophobicContact CD2-CD1 4.27Å; L148-L159 WeakPolarHBondContact O-CB 3.49Å; L148-L159 VanDerWaalsContact O-CG 3.28Å; L148-L159 WeakPolarHBondContact O-CG 3.42Å; L148-L159 PolarHBondContact O-N 3.45Å; L157-L159 VanDerWaalsContact C-N 3.27Å; L157-L159 HydrophobicContact CB-CD2 4.28Å; L157-L159 HydrophobicContact CB-CG 3.94Å; L157-L159 PolarHBondContact O-N 3.02Å; L159-Q163 HydrophobicContact CB-CB 3.86Å; L159-Q163 HydrophobicContact CD1-CB 4.41Å; L159-Q163 HydrophobicContact CD2-CB 4.16Å; L159-Q163 HydrophobicContact CG-CB 4.36Å; L159-L167 HydrophobicContact CD1-CD1 3.49Å; L159-L167 VanDerWaalsContact CD1-CD1 3.49Å; L159-L167 HydrophobicContact CD1-CG 4.34Å
160	S	98.4	Very high	98.2	Very high	17 Å²	17	29.9 Å²	29.9	12%	0.119	19%	0.193	C	C	.	.			trans	-64.3	170.1	168	94.8	0	0	0	0	111.5	T162 Q163 Y164 D409	S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 3.43Å; S160-T162 PolarHBondContact OG-N 2.87Å; S160-Q163 PolarHBondContact O-N 3.23Å; S160-Q163 PolarHBondContact OG-N 3.06Å; S160-Y164 VanDerWaalsContact O-CB 3.24Å; S160-Y164 WeakPolarHBondContact O-CB 3.24Å; S160-Y164 PolarHBondContact O-N 3.49Å; S160-D409 WeakPolarHBondContact CB-OD2 3.37Å; S160-D409 PolarHBondContact OG-OD2 2.8Å
161	N	98.6	Very high	98.2	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.134	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-37.5	176.1	-61.7	-75.2	0	0	0	111.4	Q149 A165 F346 M408 D409	Q149-N161 PolarHBondContact NE2-OD1 3.13Å; Q149-N161 VanDerWaalsContact NE2-OD1 3.11Å; N161-A165 WeakPolarHBondContact O-CB 3.28Å; N161-A165 PolarHBondContact O-N 3.11Å; N161-F346 HydrophobicContact CB-CE1 4.17Å; N161-F346 HydrophobicContact CB-CE2 4.01Å; N161-F346 HydrophobicContact CB-CZ 3.6Å; N161-F346 VanDerWaalsContact O-CE2 3.31Å; N161-F346 WeakPolarHBondContact O-CE2 3.38Å; N161-F346 WeakPolarHBondContact OD1-CZ 3.47Å; N161-M408 HydrophobicContact CB-CB 4.44Å; N161-D409 VanDerWaalsContact CB-OD1 3.25Å; N161-D409 WeakPolarHBondContact CB-OD1 3.4Å; N161-D409 PolarHBondContact N-OD1 3.5Å; N161-D409 PolarHBondContact N-OD2 3.49Å; N161-D409 PolarHBondContact ND2-OD1 3.46Å
162	T	98.8	Very high	98.2	Very high	12 Å²	12	28.5 Å²	28.5	7%	0.074	19%	0.185	C	C	.	.	H	α-helix	trans	-69	-41	176.5	-68.1	0	0	0	0	112.4	A97 L98 S160 A165 R166 Y402 S405 G406 D409	A97-T162 HydrophobicContact CB-CG2 4.28Å; L98-T162 HydrophobicContact CD1-CG2 4.26Å; L98-T162 HydrophobicContact CD2-CG2 4.07Å; L98-T162 HydrophobicContact CG-CG2 4.08Å; S160-T162 VanDerWaalsContact C-N 3.3Å; S160-T162 PolarHBondContact O-N 3.43Å; S160-T162 PolarHBondContact OG-N 2.87Å; T162-A165 PolarHBondContact O-N 3.47Å; T162-R166 PolarHBondContact O-N 2.72Å; T162-Y402 HydrophobicContact CG2-CD1 4.01Å; T162-Y402 HydrophobicContact CG2-CE1 4.22Å; T162-S405 PolarHBondContact OG1-OG 2.99Å; T162-S405 VanDerWaalsContact OG1-OG 3.11Å; T162-G406 PolarHBondContact OG1-N 3.28Å; T162-D409 WeakPolarHBondContact CB-OD2 3.44Å; T162-D409 PolarHBondContact N-OD2 2.98Å; T162-D409 PolarHBondContact OG1-OD2 3.28Å
163	Q	98.8	Very high	98.3	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.028	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-43.7	173	-70.7	174.3	-51.3	0	0	111.4	L98 Q102 L106 L159 S160 A165 R166 L167	L98-Q163 HydrophobicContact CD1-CG 4.07Å; L98-Q163 HydrophobicContact CD2-CG 3.8Å; Q102-Q163 PolarHBondContact O-NE2 2.99Å; L106-Q163 HydrophobicContact CB-CG 4.26Å; L106-Q163 HydrophobicContact CD1-CB 4.12Å; L106-Q163 HydrophobicContact CD1-CG 4.36Å; L106-Q163 HydrophobicContact CD2-CB 4.46Å; L106-Q163 HydrophobicContact CD2-CG 4.11Å; L106-Q163 HydrophobicContact CG-CG 4.48Å; L159-Q163 HydrophobicContact CB-CB 3.86Å; L159-Q163 HydrophobicContact CD1-CB 4.41Å; L159-Q163 HydrophobicContact CD2-CB 4.16Å; L159-Q163 HydrophobicContact CG-CB 4.36Å; S160-Q163 PolarHBondContact O-N 3.23Å; S160-Q163 PolarHBondContact OG-N 3.06Å; Q163-A165 PolarHBondContact O-N 3Å; Q163-R166 PolarHBondContact O-N 2.9Å; Q163-L167 PolarHBondContact O-N 2.88Å
164	Y	98.8	Very high	98.4	Very high	7 Å²	7	22.4 Å²	22.4	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-46.6	174	176.7	-103.1	0	0	0	112	L148 Q149 S160 R166 L167 V168 Q186 S187 F346	L148-Y164 HydrophobicContact CB-CD2 3.78Å; L148-Y164 HydrophobicContact CB-CE2 4.17Å; L148-Y164 HydrophobicContact CD1-CD2 3.76Å; L148-Y164 HydrophobicContact CD1-CE2 3.79Å; L148-Y164 HydrophobicContact CG-CD2 4.41Å; Q149-Y164 HydrophobicContact CG-CD2 3.56Å; Q149-Y164 HydrophobicContact CG-CE2 4.16Å; Q149-Y164 HydrophobicContact CG-CG 3.78Å; S160-Y164 VanDerWaalsContact O-CB 3.24Å; S160-Y164 WeakPolarHBondContact O-CB 3.24Å; S160-Y164 PolarHBondContact O-N 3.49Å; Y164-R166 VanDerWaalsContact C-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.25Å; Y164-L167 PolarHBondContact O-N 2.59Å; Y164-V168 HydrophobicContact CD1-CG2 3.95Å; Y164-V168 HydrophobicContact CD2-CG2 4.03Å; Y164-V168 HydrophobicContact CE1-CG2 3.53Å; Y164-V168 HydrophobicContact CE2-CG2 3.61Å; Y164-V168 HydrophobicContact CG-CG2 4.19Å; Y164-V168 WeakPolarHBondContact O-CB 3.33Å; Y164-V168 VanDerWaalsContact O-CG2 3.31Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 3.37Å; Y164-Q186 HydrophobicContact CE2-CG 4.2Å; Y164-S187 PolarHBondContact OH-OG 3Å; Y164-F346 AromaticContact CD1-CE2 3.9Å; Y164-F346 HydrophobicContact CD1-CE2 3.9Å; Y164-F346 AromaticContact CD1-CZ 3.71Å; Y164-F346 HydrophobicContact CD1-CZ 3.71Å; Y164-F346 HydrophobicContact CE1-CZ 4.28Å
165	A	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-40.5	177.3	0	0	0	0	0	112	N161 T162 Q163 L167 V168 E169 F346 A350 Y402	N161-A165 WeakPolarHBondContact O-CB 3.28Å; N161-A165 PolarHBondContact O-N 3.11Å; T162-A165 PolarHBondContact O-N 3.47Å; Q163-A165 PolarHBondContact O-N 3Å; A165-L167 PolarHBondContact O-N 2.99Å; A165-V168 PolarHBondContact O-N 3.23Å; A165-E169 WeakPolarHBondContact O-CB 3.29Å; A165-E169 PolarHBondContact O-N 3.06Å; A165-F346 HydrophobicContact CB-CD2 4.35Å; A165-F346 HydrophobicContact CB-CE2 4.09Å; A165-A350 HydrophobicContact CB-CB 3.86Å; A165-Y402 HydrophobicContact CB-CE1 4.37Å
166	R	98.8	Very high	98.5	Very high	70 Å²	70	19.2 Å²	19.2	26%	0.264	12%	0.117	S	C	.	.	H	α-helix	trans	-64.8	-39	179.5	178.9	63.5	-173.2	93	-2.6	113.4	L106 V110 T162 Q163 Y164 E169 Y402	L106-R166 HydrophobicContact CD1-CB 4.09Å; L106-R166 HydrophobicContact CD1-CG 4.09Å; L106-R166 HydrophobicContact CD2-CB 3.91Å; L106-R166 HydrophobicContact CD2-CG 3.95Å; L106-R166 HydrophobicContact CG-CB 4.46Å; L106-R166 HydrophobicContact CG-CG 4.22Å; V110-R166 VanDerWaalsContact CG1-NH2 3.34Å; V110-R166 HydrophobicContact CG2-CG 3.86Å; T162-R166 PolarHBondContact O-N 2.72Å; Q163-R166 PolarHBondContact O-N 2.9Å; Y164-R166 VanDerWaalsContact C-N 3.26Å; Y164-R166 PolarHBondContact O-N 3.25Å; R166-E169 IonicContact NH1-OE1 2.82Å; R166-Y402 VanDerWaalsContact CA-OH 3.25Å; R166-Y402 WeakPolarHBondContact CA-OH 3.44Å; R166-Y402 VanDerWaalsContact CD-OH 3.29Å; R166-Y402 WeakPolarHBondContact CD-OH 3.42Å
167	L	98.8	Very high	98.6	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-75.2	-40.5	176.6	-61.5	-170.3	0	0	0	111.7	L106 L109 V110 V113 L148 L159 Q163 Y164 A165 E169 I170 V171	L106-L167 HydrophobicContact CD1-CD2 4.12Å; L106-L167 HydrophobicContact CD1-CG 4.27Å; L109-L167 HydrophobicContact CB-CD2 4.3Å; L109-L167 HydrophobicContact CD1-CD1 4.33Å; V110-L167 HydrophobicContact CG2-CD2 4.15Å; V113-L167 HydrophobicContact CB-CD2 4.44Å; V113-L167 HydrophobicContact CG2-CD2 4.13Å; L148-L167 HydrophobicContact CD1-CB 4.4Å; L148-L167 HydrophobicContact CD1-CD1 4.42Å; L148-L167 HydrophobicContact CD2-CD1 3.98Å; L159-L167 HydrophobicContact CD1-CD1 3.49Å; L159-L167 VanDerWaalsContact CD1-CD1 3.49Å; L159-L167 HydrophobicContact CD1-CG 4.34Å; Q163-L167 PolarHBondContact O-N 2.88Å; Y164-L167 PolarHBondContact O-N 2.59Å; A165-L167 PolarHBondContact O-N 2.99Å; L167-E169 PolarHBondContact O-N 3.28Å; L167-I170 HydrophobicContact CD2-CD1 4.1Å; L167-I170 WeakPolarHBondContact O-CB 3.23Å; L167-I170 PolarHBondContact O-N 3.49Å; L167-V171 PolarHBondContact O-N 3.5Å
168	V	98.7	Very high	98.7	Very high	18 Å²	18	16.4 Å²	16.4	11%	0.109	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-33.8	176.2	170.2	0	0	0	0	112.1	Y164 A165 I170 V171 G172 G347 A350 A351	Y164-V168 HydrophobicContact CD1-CG2 3.95Å; Y164-V168 HydrophobicContact CD2-CG2 4.03Å; Y164-V168 HydrophobicContact CE1-CG2 3.53Å; Y164-V168 HydrophobicContact CE2-CG2 3.61Å; Y164-V168 HydrophobicContact CG-CG2 4.19Å; Y164-V168 WeakPolarHBondContact O-CB 3.33Å; Y164-V168 VanDerWaalsContact O-CG2 3.31Å; Y164-V168 WeakPolarHBondContact O-CG2 3.47Å; Y164-V168 PolarHBondContact O-N 3.37Å; A165-V168 PolarHBondContact O-N 3.23Å; V168-I170 VanDerWaalsContact C-N 3.3Å; V168-I170 PolarHBondContact O-N 3.14Å; V168-V171 PolarHBondContact O-N 3.15Å; V168-G172 PolarHBondContact O-N 3.35Å; V168-G347 VanDerWaalsContact CG1-O 3.3Å; V168-G347 WeakPolarHBondContact CG1-O 3.48Å; V168-A350 HydrophobicContact CG1-CB 4.36Å; V168-A351 HydrophobicContact CG1-CB 3.67Å
169	E	98.5	Very high	98.7	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.047	9%	0.089	C	C	.	.	H	α-helix	trans	-59.2	-39.7	171.3	-176.1	175.5	67.2	0	0	112.2	A165 R166 L167 G172 G173 A350 S353 G354 K357	A165-E169 WeakPolarHBondContact O-CB 3.29Å; A165-E169 PolarHBondContact O-N 3.06Å; R166-E169 IonicContact NH1-OE1 2.82Å; L167-E169 PolarHBondContact O-N 3.28Å; E169-G172 PolarHBondContact O-N 2.91Å; E169-G173 PolarHBondContact O-N 2.82Å; E169-A350 WeakPolarHBondContact CA-O 3.1Å; E169-S353 WeakPolarHBondContact OE2-CB 3.36Å; E169-S353 PolarHBondContact OE2-OG 3.29Å; E169-G354 WeakPolarHBondContact O-CA 3.48Å; E169-K357 IonicContact OE1-NZ 2.82Å; E169-K357 PolarHBondContact OE1-NZ 3.45Å; E169-K357 WeakPolarHBondContact OE2-CE 3.37Å; E169-K357 IonicContact OE2-NZ 2.71Å; E169-K357 PolarHBondContact OE2-NZ 3.37Å
170	I	98.8	Very high	98.7	Very high	9 Å²	9	16 Å²	16	5%	0.046	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-50.6	176.1	-56.9	169.9	0	0	0	109.4	V110 V113 F117 L167 V168 G172 G173 H174	V110-I170 HydrophobicContact CB-CD1 4.46Å; V110-I170 HydrophobicContact CG1-CD1 4.18Å; V110-I170 HydrophobicContact CG2-CD1 4.34Å; V113-I170 HydrophobicContact CB-CD1 4.15Å; V113-I170 HydrophobicContact CG1-CB 4.23Å; V113-I170 HydrophobicContact CG1-CD1 3.91Å; V113-I170 HydrophobicContact CG1-CG2 4.05Å; F117-I170 HydrophobicContact CD2-CG2 4.26Å; L167-I170 HydrophobicContact CD2-CD1 4.1Å; L167-I170 WeakPolarHBondContact O-CB 3.23Å; L167-I170 PolarHBondContact O-N 3.49Å; V168-I170 VanDerWaalsContact C-N 3.3Å; V168-I170 PolarHBondContact O-N 3.14Å; I170-G172 VanDerWaalsContact C-N 3.29Å; I170-G172 PolarHBondContact O-N 3.38Å; I170-G173 PolarHBondContact O-N 3.22Å; I170-H174 PolarHBondContact O-CD2 3.09Å; I170-H174 VanDerWaalsContact O-CD2 3.23Å; I170-H174 PolarHBondContact O-N 2.96Å
171	V	98.8	Very high	98.8	Very high	16 Å²	16	15.3 Å²	15.3	10%	0.097	9%	0.087	C	C	.	.	H	α-helix	trans	-55.5	-47	179.1	-174	0	0	0	0	110.9	F117 L167 V168 G173 H174 D175 V178 G179	F117-V171 HydrophobicContact CE1-CG1 4.1Å; F117-V171 HydrophobicContact CE2-CB 4.4Å; F117-V171 HydrophobicContact CE2-CG2 3.74Å; F117-V171 HydrophobicContact CZ-CB 4.07Å; F117-V171 HydrophobicContact CZ-CG1 3.77Å; F117-V171 HydrophobicContact CZ-CG2 3.72Å; L167-V171 PolarHBondContact O-N 3.5Å; V168-V171 PolarHBondContact O-N 3.15Å; V171-G173 VanDerWaalsContact C-N 3.29Å; V171-G173 PolarHBondContact O-N 3.07Å; V171-H174 PolarHBondContact O-N 2.82Å; V171-H174 VanDerWaalsContact O-N 3.14Å; V171-D175 CarbonylContact O-C 3.57Å; V171-D175 PolarHBondContact O-N 2.99Å; V171-V178 HydrophobicContact CG1-CG1 4.33Å; V171-G179 VanDerWaalsContact CG1-CA 3.44Å
172	G	98.7	Very high	98.8	Very high	3 Å²	3	14.7 Å²	14.7	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-27.6	179.9	0	0	0	0	0	114.4	V168 E169 I170 H174 A351 T355	V168-G172 PolarHBondContact O-N 3.35Å; E169-G172 PolarHBondContact O-N 2.91Å; I170-G172 VanDerWaalsContact C-N 3.29Å; I170-G172 PolarHBondContact O-N 3.38Å; G172-H174 VanDerWaalsContact C-N 3.28Å; G172-H174 PolarHBondContact O-N 2.83Å; G172-A351 WeakPolarHBondContact CA-O 3.38Å; G172-T355 WeakPolarHBondContact O-CA 3.28Å; G172-T355 WeakPolarHBondContact O-CB 3.46Å; G172-T355 PolarHBondContact O-N 3.36Å; G172-T355 PolarHBondContact O-OG1 2.9Å
173	G	98.5	Very high	98.8	Very high	27 Å²	27	14.8 Å²	14.8	28%	0.278	9%	0.087	S	C	.	.	H	α-helix	trans	-70.3	-21.5	173.5	0	0	0	0	0	114.5	E169 I170 V171 G354	E169-G173 PolarHBondContact O-N 2.82Å; I170-G173 PolarHBondContact O-N 3.22Å; V171-G173 VanDerWaalsContact C-N 3.29Å; V171-G173 PolarHBondContact O-N 3.07Å; G173-G354 VanDerWaalsContact CA-O 3.28Å; G173-G354 WeakPolarHBondContact CA-O 3.09Å
174	H	98.8	Very high	98.8	Very high	58 Å²	58	14.8 Å²	14.8	27%	0.269	9%	0.088	S	C	.	.	H	α-helix	trans	-112.5	-52.1	-174.3	-71	-108.7	0	0	0	113	F117 I170 V171 G172	F117-H174 HydrophobicContact CB-CB 3.81Å; F117-H174 HydrophobicContact CD1-CB 3.77Å; F117-H174 HydrophobicContact CG-CB 4.05Å; F117-H174 PolarHBondContact O-ND1 3.45Å; F117-H174 VanDerWaalsContact O-ND1 3.11Å; I170-H174 PolarHBondContact O-CD2 3.09Å; I170-H174 VanDerWaalsContact O-CD2 3.23Å; I170-H174 PolarHBondContact O-N 2.96Å; V171-H174 PolarHBondContact O-N 2.82Å; V171-H174 VanDerWaalsContact O-N 3.14Å; G172-H174 VanDerWaalsContact C-N 3.28Å; G172-H174 PolarHBondContact O-N 2.83Å
175	D	98.9	Very high	98.8	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	9%	0.087	C	C	.	.			trans	-150.8	103.3	-171.6	-163.8	-30	0	0	0	113.2	F117 N121 P123 N126 V171 G177 V178 G179	F117-D175 HydrophobicContact CE1-CB 4.49Å; N121-D175 PolarHBondContact ND2-OD2 2.79Å; P123-D175 VanDerWaalsContact CA-OD2 3.25Å; P123-D175 WeakPolarHBondContact CA-OD2 3.45Å; P123-D175 HydrophobicContact CB-CB 3.9Å; P123-D175 VanDerWaalsContact CB-OD2 3.31Å; P123-D175 WeakPolarHBondContact CB-OD2 3.34Å; N126-D175 PolarHBondContact ND2-OD2 2.84Å; V171-D175 CarbonylContact O-C 3.57Å; V171-D175 PolarHBondContact O-N 2.99Å; D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.72Å; D175-G177 WeakPolarHBondContact OD1-CA 3.46Å; D175-G177 PolarHBondContact OD1-N 3.09Å; D175-V178 HydrophobicContact CB-CB 4.06Å; D175-V178 HydrophobicContact CB-CG2 4.09Å; D175-V178 PolarHBondContact OD1-N 3.3Å; D175-V178 VanDerWaalsContact OD1-N 3.08Å; D175-V178 WeakPolarHBondContact OD2-CG2 3.16Å; D175-G179 PolarHBondContact O-N 3.21Å
176	L	98.9	Very high	98.8	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-70.4	-24.5	175.1	-71.5	173.9	0	0	0	113	G179 I180 I306 L352 T355 D458 L459 F462	L176-G179 PolarHBondContact O-N 3.42Å; L176-I180 WeakPolarHBondContact O-CG1 3.25Å; L176-I180 PolarHBondContact O-N 3.45Å; L176-I306 HydrophobicContact CB-CG2 4.08Å; L176-L352 HydrophobicContact CD2-CD2 4.43Å; L176-T355 HydrophobicContact CD1-CG2 4.01Å; L176-T355 WeakPolarHBondContact CD2-OG1 3.26Å; L176-D458 HydrophobicContact CB-CB 4.08Å; L176-D458 HydrophobicContact CD1-CB 3.9Å; L176-L459 HydrophobicContact CD1-CD2 3.82Å; L176-L459 HydrophobicContact CD1-CG 4.04Å; L176-F462 HydrophobicContact CB-CE2 4.39Å; L176-F462 HydrophobicContact CB-CZ 4.36Å; L176-F462 HydrophobicContact CD1-CE2 4.05Å; L176-F462 HydrophobicContact CD1-CZ 4.35Å; L176-F462 HydrophobicContact CD2-CE1 4.41Å; L176-F462 HydrophobicContact CD2-CE2 4.28Å; L176-F462 HydrophobicContact CD2-CZ 3.74Å; L176-F462 HydrophobicContact CG-CE2 4.49Å; L176-F462 HydrophobicContact CG-CZ 4.38Å
177	G	98.9	Very high	98.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-68.1	-44.8	175.3	0	0	0	0	0	112	D175 T181	D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.72Å; D175-G177 WeakPolarHBondContact OD1-CA 3.46Å; D175-G177 PolarHBondContact OD1-N 3.09Å; G177-T181 PolarHBondContact O-N 2.62Å; G177-T181 PolarHBondContact O-OG1 3.03Å; G177-T181 VanDerWaalsContact O-OG1 3.05Å
178	V	98.9	Very high	98.7	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-63.5	-44.7	169.3	172.6	0	0	0	0	110.3	F117 V132 L140 V171 D175 I180 T181 L182	F117-V178 HydrophobicContact CE1-CB 4.36Å; F117-V178 HydrophobicContact CE1-CG1 3.93Å; F117-V178 HydrophobicContact CZ-CG1 3.99Å; V132-V178 HydrophobicContact CG1-CG2 4.16Å; V132-V178 HydrophobicContact CG2-CG2 3.9Å; L140-V178 HydrophobicContact CD1-CG1 3.64Å; V171-V178 HydrophobicContact CG1-CG1 4.33Å; D175-V178 HydrophobicContact CB-CB 4.06Å; D175-V178 HydrophobicContact CB-CG2 4.09Å; D175-V178 PolarHBondContact OD1-N 3.3Å; D175-V178 VanDerWaalsContact OD1-N 3.08Å; D175-V178 WeakPolarHBondContact OD2-CG2 3.16Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 2.99Å; V178-T181 WeakPolarHBondContact O-CB 3.3Å; V178-T181 PolarHBondContact O-N 2.9Å; V178-L182 HydrophobicContact CG1-CD1 3.84Å; V178-L182 HydrophobicContact CG1-CG 4.29Å; V178-L182 PolarHBondContact O-N 2.92Å
179	G	98.8	Very high	98.7	Very high	20 Å²	20	11.9 Å²	11.9	21%	0.206	8%	0.078	C	C	.	.	H	α-helix	trans	-54.3	-42.3	177.2	0	0	0	0	0	113.8	V171 D175 L176 G183	V171-G179 VanDerWaalsContact CG1-CA 3.44Å; D175-G179 PolarHBondContact O-N 3.21Å; L176-G179 PolarHBondContact O-N 3.42Å; G179-G183 WeakPolarHBondContact O-CA 3.42Å; G179-G183 PolarHBondContact O-N 3.48Å
180	I	98.8	Very high	98.7	Very high	20 Å²	20	11.4 Å²	11.4	10%	0.103	8%	0.076	C	C	.	.	H	α-helix	trans	-71.5	-36.3	175.8	-64.8	-48.2	0	0	0	112.3	L176 V178 G183 A184 I306 S309 F462 F465	L176-I180 WeakPolarHBondContact O-CG1 3.25Å; L176-I180 PolarHBondContact O-N 3.45Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 2.99Å; I180-G183 PolarHBondContact O-N 3.36Å; I180-A184 WeakPolarHBondContact O-CB 3.1Å; I180-A184 PolarHBondContact O-N 3.01Å; I180-I306 HydrophobicContact CB-CD1 4.42Å; I180-I306 HydrophobicContact CG1-CD1 4.04Å; I180-I306 HydrophobicContact CG1-CG2 4.18Å; I180-I306 HydrophobicContact CG2-CD1 4.22Å; I180-S309 WeakPolarHBondContact CG2-OG 3.36Å; I180-F462 HydrophobicContact CD1-CE1 3.87Å; I180-F462 HydrophobicContact CD1-CE2 4.41Å; I180-F462 HydrophobicContact CD1-CZ 3.53Å; I180-F462 HydrophobicContact CG1-CE2 4.49Å; I180-F462 HydrophobicContact CG1-CZ 3.95Å; I180-F465 HydrophobicContact CD1-CE2 3.76Å; I180-F465 HydrophobicContact CD1-CZ 3.59Å; I180-F465 HydrophobicContact CG1-CE2 4.29Å; I180-F465 HydrophobicContact CG1-CZ 4.43Å
181	T	98.9	Very high	98.7	Very high	4 Å²	4	11.2 Å²	11.2	3%	0.025	8%	0.075	C	C	.	.	H	α-helix	trans	-59.6	-49.6	175.5	-58.3	0	0	0	0	111.1	M137 G177 V178 H185 N256 S309	M137-T181 HydrophobicContact CE-CG2 4.22Å; G177-T181 PolarHBondContact O-N 2.62Å; G177-T181 PolarHBondContact O-OG1 3.03Å; G177-T181 VanDerWaalsContact O-OG1 3.05Å; V178-T181 WeakPolarHBondContact O-CB 3.3Å; V178-T181 PolarHBondContact O-N 2.9Å; T181-H185 PolarHBondContact O-N 3.38Å; T181-N256 PolarHBondContact O-ND2 2.95Å; T181-S309 WeakPolarHBondContact OG1-CA 3.41Å
182	L	98.9	Very high	98.7	Very high	11 Å²	11	10.4 Å²	10.4	6%	0.058	7%	0.07	C	C	.	.	H	α-helix	trans	-69.3	-42.1	178.4	-65.3	174.2	0	0	0	112.1	L140 A145 F146 V178 H185 Q186	L140-L182 HydrophobicContact CD1-CD1 4.48Å; L140-L182 HydrophobicContact CD2-CD1 4.18Å; A145-L182 HydrophobicContact CB-CD1 4.3Å; A145-L182 HydrophobicContact CB-CD2 4.33Å; F146-L182 HydrophobicContact CD1-CD2 4.27Å; F146-L182 HydrophobicContact CD2-CD2 3.94Å; F146-L182 HydrophobicContact CE1-CD2 4Å; F146-L182 HydrophobicContact CE2-CD2 3.66Å; F146-L182 HydrophobicContact CG-CD2 4.22Å; F146-L182 HydrophobicContact CZ-CD2 3.66Å; V178-L182 HydrophobicContact CG1-CD1 3.84Å; V178-L182 HydrophobicContact CG1-CG 4.29Å; V178-L182 PolarHBondContact O-N 2.92Å; L182-H185 WeakPolarHBondContact O-CB 3.47Å; L182-H185 PolarHBondContact O-N 2.71Å; L182-Q186 WeakPolarHBondContact O-CG 3.34Å; L182-Q186 PolarHBondContact O-N 3.02Å; L182-Q186 PolarHBondContact O-NE2 2.91Å
183	G	98.6	Very high	98.7	Very high	15 Å²	15	10.3 Å²	10.3	16%	0.155	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-46.7	178.5	0	0	0	0	0	112.3	G179 I180 H185 Q186 S187 I188	G179-G183 WeakPolarHBondContact O-CA 3.42Å; G179-G183 PolarHBondContact O-N 3.48Å; I180-G183 PolarHBondContact O-N 3.36Å; G183-H185 PolarHBondContact O-N 3.09Å; G183-Q186 PolarHBondContact O-N 3.24Å; G183-S187 WeakPolarHBondContact O-CA 3.34Å; G183-S187 WeakPolarHBondContact O-CB 3.44Å; G183-S187 PolarHBondContact O-N 3.49Å; G183-I188 PolarHBondContact O-N 3.33Å
184	A	98.8	Very high	98.7	Very high	5 Å²	5	10.3 Å²	10.3	4%	0.041	6%	0.063	C	C	.	.	I	π-helix	trans	-59.3	-35.4	175.5	0	0	0	0	0	111.8	I180 I188 G189 S255	I180-A184 WeakPolarHBondContact O-CB 3.1Å; I180-A184 PolarHBondContact O-N 3.01Å; A184-I188 WeakPolarHBondContact O-CG1 3.46Å; A184-G189 WeakPolarHBondContact O-CA 3.26Å; A184-G189 PolarHBondContact O-N 2.59Å; A184-S255 VanDerWaalsContact CB-CB 3.45Å
185	H	98.9	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-67.7	-56.1	174.8	170.4	70.7	0	0	0	112.5	F146 T181 L182 G183 G189 F190 L209 H214 A216	F146-H185 AromaticContact CD1-CD2 3.41Å; F146-H185 VanDerWaalsContact CD1-CD2 3.41Å; F146-H185 WeakPolarHBondContact CD1-CD2 3.33Å; F146-H185 AromaticContact CD1-CG 3.92Å; F146-H185 AromaticContact CD1-NE2 3.53Å; F146-H185 PolarHBondContact O-CD2 3.16Å; F146-H185 VanDerWaalsContact O-CD2 3.25Å; F146-H185 PolarHBondContact O-NE2 2.99Å; F146-H185 VanDerWaalsContact O-NE2 3.11Å; T181-H185 PolarHBondContact O-N 3.38Å; L182-H185 WeakPolarHBondContact O-CB 3.47Å; L182-H185 PolarHBondContact O-N 2.71Å; G183-H185 PolarHBondContact O-N 3.09Å; H185-G189 CarbonylContact O-C 3.42Å; H185-G189 VanDerWaalsContact O-CA 3.22Å; H185-G189 WeakPolarHBondContact O-CA 3.31Å; H185-G189 PolarHBondContact O-N 2.97Å; H185-F190 AromaticContact CD2-CE1 3.58Å; H185-F190 AromaticContact CE1-CD1 3.72Å; H185-F190 AromaticContact CE1-CE1 3.75Å; H185-F190 AromaticContact ND1-CD1 3.93Å; H185-F190 AromaticContact NE2-CD1 3.79Å; H185-F190 AromaticContact NE2-CE1 3.33Å; H185-F190 VanDerWaalsContact NE2-CE1 3.33Å; H185-F190 WeakPolarHBondContact NE2-CE1 3.33Å; H185-F190 WeakPolarHBondContact O-CD1 3.42Å; H185-F190 PolarHBondContact O-N 2.73Å; H185-L209 PolarHBondContact CE1-O 2.87Å; H185-L209 VanDerWaalsContact CE1-O 3.31Å; H185-L209 PolarHBondContact NE2-O 3.4Å; H185-H214 PolarHBondContact CE1-O 3.44Å; H185-A216 WeakPolarHBondContact ND1-CB 3.49Å; H185-A216 PolarHBondContact ND1-N 2.99Å
186	Q	98.6	Very high	98.6	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.019	8%	0.08	C	C	.	.	I	π-helix	trans	-106.9	-30.9	-167.1	76.8	-166.1	-81	0	0	115.9	A145 L148 Y164 L182 G183 I188 F190 K191	A145-Q186 PolarHBondContact O-NE2 3.47Å; L148-Q186 VanDerWaalsContact CB-OE1 3.28Å; Y164-Q186 HydrophobicContact CE2-CG 4.2Å; L182-Q186 WeakPolarHBondContact O-CG 3.34Å; L182-Q186 PolarHBondContact O-N 3.02Å; L182-Q186 PolarHBondContact O-NE2 2.91Å; G183-Q186 PolarHBondContact O-N 3.24Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-F190 HydrophobicContact CB-CD1 4.23Å; Q186-F190 HydrophobicContact CB-CE1 3.31Å; Q186-F190 HydrophobicContact CB-CE2 4.43Å; Q186-F190 HydrophobicContact CB-CZ 3.43Å; Q186-F190 VanDerWaalsContact CB-CZ 3.43Å; Q186-K191 WeakPolarHBondContact O-CE 3.47Å
187	S	98.2	Very high	98.6	Very high	12 Å²	12	14 Å²	14	8%	0.084	8%	0.084	C	C	.	.	I	π-helix	trans	-71.3	-32.7	177.9	-63.4	0	0	0	0	111.7	Y164 G183 K191	Y164-S187 PolarHBondContact OH-OG 3Å; G183-S187 WeakPolarHBondContact O-CA 3.34Å; G183-S187 WeakPolarHBondContact O-CB 3.44Å; G183-S187 PolarHBondContact O-N 3.49Å; S187-K191 WeakPolarHBondContact O-CB 3.5Å; S187-K191 WeakPolarHBondContact O-CG 3.41Å
188	I	98.5	Very high	98.6	Very high	22 Å²	22	17.6 Å²	17.6	11%	0.113	10%	0.103	C	C	.	.	I	π-helix	trans	-132	-39.9	-178.5	59.2	176.5	0	0	0	114.5	G183 A184 Q186 F218 I340 L341 E466	G183-I188 PolarHBondContact O-N 3.33Å; A184-I188 WeakPolarHBondContact O-CG1 3.46Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; I188-F218 HydrophobicContact CB-CB 4.08Å; I188-F218 HydrophobicContact CB-CD2 4.12Å; I188-F218 HydrophobicContact CB-CG 4.11Å; I188-F218 HydrophobicContact CD1-CB 3.82Å; I188-F218 HydrophobicContact CD1-CD1 4.3Å; I188-F218 HydrophobicContact CD1-CG 4.17Å; I188-F218 HydrophobicContact CG1-CB 3.8Å; I188-F218 HydrophobicContact CG1-CG 4.29Å; I188-I340 HydrophobicContact CB-CG2 3.85Å; I188-I340 HydrophobicContact CG2-CG2 3.81Å; I188-L341 HydrophobicContact CG2-CD2 4.48Å; I188-E466 WeakPolarHBondContact CG2-OE1 3.18Å
189	G	98.7	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	I	π-helix	trans	-58.3	-57.3	-169.7	0	0	0	0	0	113.4	A184 H185 T264	A184-G189 WeakPolarHBondContact O-CA 3.26Å; A184-G189 PolarHBondContact O-N 2.59Å; H185-G189 CarbonylContact O-C 3.42Å; H185-G189 VanDerWaalsContact O-CA 3.22Å; H185-G189 WeakPolarHBondContact O-CA 3.31Å; H185-G189 PolarHBondContact O-N 2.97Å; G189-T264 WeakPolarHBondContact O-CB 3.49Å; G189-T264 PolarHBondContact O-OG1 3.35Å
190	F	98.7	Very high	98.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.9	173.5	73.5	-104.7	0	0	0	114.1	V150 H185 Q186 G192 I193 L194 L206 L209 A216	V150-F190 HydrophobicContact CG2-CE2 3.46Å; V150-F190 VanDerWaalsContact CG2-CE2 3.46Å; V150-F190 HydrophobicContact CG2-CZ 3.58Å; H185-F190 AromaticContact CD2-CE1 3.58Å; H185-F190 AromaticContact CE1-CD1 3.72Å; H185-F190 AromaticContact CE1-CE1 3.75Å; H185-F190 AromaticContact ND1-CD1 3.93Å; H185-F190 AromaticContact NE2-CD1 3.79Å; H185-F190 AromaticContact NE2-CE1 3.33Å; H185-F190 VanDerWaalsContact NE2-CE1 3.33Å; H185-F190 WeakPolarHBondContact NE2-CE1 3.33Å; H185-F190 WeakPolarHBondContact O-CD1 3.42Å; H185-F190 PolarHBondContact O-N 2.73Å; Q186-F190 HydrophobicContact CB-CD1 4.23Å; Q186-F190 HydrophobicContact CB-CE1 3.31Å; Q186-F190 HydrophobicContact CB-CE2 4.43Å; Q186-F190 HydrophobicContact CB-CZ 3.43Å; Q186-F190 VanDerWaalsContact CB-CZ 3.43Å; F190-G192 PolarHBondContact O-N 3.47Å; F190-I193 HydrophobicContact CB-CD1 4.23Å; F190-I193 WeakPolarHBondContact O-CA 3.44Å; F190-I193 WeakPolarHBondContact O-CB 3.29Å; F190-I193 PolarHBondContact O-N 3.36Å; F190-L194 HydrophobicContact CD2-CD1 4.14Å; F190-L194 HydrophobicContact CD2-CG 4.13Å; F190-L194 HydrophobicContact CE2-CD1 3.59Å; F190-L194 HydrophobicContact CE2-CG 3.95Å; F190-L194 PolarHBondContact O-N 3.34Å; F190-L206 HydrophobicContact CD2-CD2 3.71Å; F190-L206 HydrophobicContact CE2-CD2 4.08Å; F190-L209 HydrophobicContact CB-CD1 3.52Å; F190-L209 HydrophobicContact CB-CD2 4.28Å; F190-L209 HydrophobicContact CB-CG 4.43Å; F190-L209 HydrophobicContact CD1-CB 4.07Å; F190-L209 HydrophobicContact CD1-CD1 4.29Å; F190-L209 HydrophobicContact CD1-CD2 4.22Å; F190-L209 HydrophobicContact CD1-CG 4.45Å; F190-L209 HydrophobicContact CD2-CD1 4.47Å; F190-L209 HydrophobicContact CE1-CB 4.34Å; F190-L209 HydrophobicContact CG-CB 4.38Å; F190-L209 HydrophobicContact CG-CD1 3.89Å; F190-A216 HydrophobicContact CB-CB 4.14Å; F190-A216 HydrophobicContact CD1-CB 4.25Å
191	K	98.7	Very high	98.5	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-54.3	-33.9	-178.5	-178.8	56.3	62.5	74.9	0	112.4	Q186 S187 I193 L194 L195 I340 N343	Q186-K191 WeakPolarHBondContact O-CE 3.47Å; S187-K191 WeakPolarHBondContact O-CB 3.5Å; S187-K191 WeakPolarHBondContact O-CG 3.41Å; K191-I193 VanDerWaalsContact C-N 3.29Å; K191-I193 PolarHBondContact O-N 3.47Å; K191-L194 HydrophobicContact CD-CB 4.46Å; K191-L194 HydrophobicContact CD-CD1 4.32Å; K191-L194 WeakPolarHBondContact O-CB 3.36Å; K191-L194 PolarHBondContact O-N 3.44Å; K191-L195 HydrophobicContact CD-CD1 3.99Å; K191-L195 HydrophobicContact CD-CD2 4.41Å; K191-L195 HydrophobicContact CD-CG 3.92Å; K191-L195 HydrophobicContact CG-CD1 3.83Å; K191-L195 HydrophobicContact CG-CG 4.19Å; K191-L195 WeakPolarHBondContact O-CG 3.25Å; K191-L195 PolarHBondContact O-N 2.9Å; K191-I340 HydrophobicContact CB-CG2 4.13Å; K191-I340 HydrophobicContact CG-CG2 4.33Å; K191-N343 WeakPolarHBondContact CD-OD1 3.26Å; K191-N343 PolarHBondContact NZ-OD1 3.22Å
192	G	98.5	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-38.8	173.3	0	0	0	0	0	113.4	F190 L195 F196 G197	F190-G192 PolarHBondContact O-N 3.47Å; G192-L195 PolarHBondContact O-N 3.38Å; G192-F196 WeakPolarHBondContact O-CA 3.32Å; G192-F196 WeakPolarHBondContact O-CB 3.25Å; G192-F196 PolarHBondContact O-N 3.38Å; G192-G197 PolarHBondContact O-N 2.92Å
193	I	98.8	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-41.2	177.3	-53.3	-179.9	0	0	0	110.4	F190 K191 G197 K202 Y205 L206 L209 I287	F190-I193 HydrophobicContact CB-CD1 4.23Å; F190-I193 WeakPolarHBondContact O-CA 3.44Å; F190-I193 WeakPolarHBondContact O-CB 3.29Å; F190-I193 PolarHBondContact O-N 3.36Å; K191-I193 VanDerWaalsContact C-N 3.29Å; K191-I193 PolarHBondContact O-N 3.47Å; I193-G197 WeakPolarHBondContact O-CA 3.23Å; I193-G197 PolarHBondContact O-N 3.13Å; I193-K202 HydrophobicContact CG2-CG 4.3Å; I193-K202 WeakPolarHBondContact O-CE 3.27Å; I193-Y205 HydrophobicContact CD1-CD2 4.23Å; I193-Y205 HydrophobicContact CD1-CG 4.22Å; I193-L206 HydrophobicContact CB-CD2 4.25Å; I193-L206 HydrophobicContact CG2-CD1 4.48Å; I193-L206 HydrophobicContact CG2-CD2 3.97Å; I193-L206 HydrophobicContact CG2-CG 4.07Å; I193-L209 HydrophobicContact CD1-CD1 4Å; I193-I287 HydrophobicContact CD1-CD1 3.92Å; I193-I287 HydrophobicContact CD1-CG1 4.13Å; I193-I287 HydrophobicContact CD1-CG2 4.23Å; I193-I287 HydrophobicContact CG1-CD1 3.81Å; I193-I287 HydrophobicContact CG1-CG1 4.03Å
194	L	98.3	Very high	98.5	Very high	28 Å²	28	38.3 Å²	38.3	15%	0.147	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-46.6	174.7	-77.6	174.4	0	0	0	112.2	Q149 V150 F190 K191 K202 L206	Q149-L194 HydrophobicContact CB-CD1 4.45Å; V150-L194 HydrophobicContact CG2-CD2 4.42Å; F190-L194 HydrophobicContact CD2-CD1 4.14Å; F190-L194 HydrophobicContact CD2-CG 4.13Å; F190-L194 HydrophobicContact CE2-CD1 3.59Å; F190-L194 HydrophobicContact CE2-CG 3.95Å; F190-L194 PolarHBondContact O-N 3.34Å; K191-L194 HydrophobicContact CD-CB 4.46Å; K191-L194 HydrophobicContact CD-CD1 4.32Å; K191-L194 WeakPolarHBondContact O-CB 3.36Å; K191-L194 PolarHBondContact O-N 3.44Å; L194-K202 WeakPolarHBondContact O-CE 3.43Å; L194-K202 PolarHBondContact O-NZ 2.97Å; L194-L206 HydrophobicContact CD2-CD1 3.74Å; L194-L206 HydrophobicContact CD2-CD2 4.12Å; L194-L206 HydrophobicContact CG-CD2 4.17Å
195	L	97.7	Very high	98.5	Very high	74 Å²	74	38.6 Å²	38.6	39%	0.387	20%	0.195	S	C	.	.	H	α-helix	trans	-81.3	-38	-172.6	-64	179.3	0	0	0	113.8	K191 G192 N343	K191-L195 HydrophobicContact CD-CD1 3.99Å; K191-L195 HydrophobicContact CD-CD2 4.41Å; K191-L195 HydrophobicContact CD-CG 3.92Å; K191-L195 HydrophobicContact CG-CD1 3.83Å; K191-L195 HydrophobicContact CG-CG 4.19Å; K191-L195 WeakPolarHBondContact O-CG 3.25Å; K191-L195 PolarHBondContact O-N 2.9Å; G192-L195 PolarHBondContact O-N 3.38Å; L195-N343 HydrophobicContact CD1-CB 4.07Å
196	F	98.4	Very high	98.5	Very high	61 Å²	61	38.6 Å²	38.6	27%	0.268	20%	0.195	S	C	.	.	H	α-helix	trans	-126.5	-5.8	-168.9	-59	-76.9	0	0	0	113.8	G192 L327 V336 N339	G192-F196 WeakPolarHBondContact O-CA 3.32Å; G192-F196 WeakPolarHBondContact O-CB 3.25Å; G192-F196 PolarHBondContact O-N 3.38Å; F196-L327 HydrophobicContact CB-CD1 4.18Å; F196-L327 HydrophobicContact CB-CG 4.34Å; F196-V336 HydrophobicContact CD1-CG2 4.39Å; F196-V336 HydrophobicContact CD2-CB 4.41Å; F196-V336 HydrophobicContact CD2-CG1 3.86Å; F196-V336 HydrophobicContact CD2-CG2 4.16Å; F196-V336 HydrophobicContact CE2-CB 4.4Å; F196-V336 HydrophobicContact CE2-CG1 4.14Å; F196-V336 HydrophobicContact CE2-CG2 4.35Å; F196-V336 HydrophobicContact CG-CG2 4.18Å; F196-N339 HydrophobicContact CE2-CB 3.89Å; F196-N339 HydrophobicContact CZ-CB 3.62Å
197	G	98.3	Very high	98.5	Very high	11 Å²	11	40.8 Å²	40.8	11%	0.113	21%	0.21	C	C	.	.			trans	-66.2	138.4	178.6	0	0	0	0	0	111.7	G192 I193 Q201 K202	G192-G197 PolarHBondContact O-N 2.92Å; I193-G197 WeakPolarHBondContact O-CA 3.23Å; I193-G197 PolarHBondContact O-N 3.13Å; G197-Q201 VanDerWaalsContact CA-OE1 3.26Å; G197-K202 WeakPolarHBondContact O-CE 3.33Å
198	N	98.3	Very high	98.6	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	22%	0.223	S	C	.	.			trans	-72.3	170.5	167.2	70.2	47	0	0	0	110.6	A200 Q201 K202	N198-A200 VanDerWaalsContact C-N 3.34Å; N198-A200 PolarHBondContact O-N 3.36Å; N198-A200 PolarHBondContact OD1-N 3.01Å; N198-Q201 VanDerWaalsContact ND2-CD 3.32Å; N198-Q201 PolarHBondContact ND2-OE1 3.23Å; N198-Q201 PolarHBondContact O-N 2.85Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.25Å; N198-Q201 PolarHBondContact OD1-N 2.88Å; N198-K202 WeakPolarHBondContact O-CG 3.33Å; N198-K202 PolarHBondContact O-N 3.1Å
199	K	98.3	Very high	98.6	Very high	155 Å²	155	43.1 Å²	43.1	67%	0.674	22%	0.218	S	C	*	.	H	α-helix	trans	-53.7	-47.9	-178.1	-177.4	176.4	173.6	179.1	0	112.6	Q201 K202 E203	K199-Q201 PolarHBondContact O-N 2.87Å; K199-K202 PolarHBondContact O-N 2.53Å; K199-E203 WeakPolarHBondContact CE-OE1 3.29Å; K199-E203 HydrophobicContact CG-CG 4.43Å; K199-E203 IonicContact NZ-OE1 3.1Å; K199-E203 WeakPolarHBondContact O-CG 3.34Å; K199-E203 PolarHBondContact O-N 3.36Å
200	A	98.5	Very high	98.6	Very high	64 Å²	64	43.2 Å²	43.2	53%	0.529	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-40.4	-178.9	0	0	0	0	0	112.5	N198 K204	N198-A200 VanDerWaalsContact C-N 3.34Å; N198-A200 PolarHBondContact O-N 3.36Å; N198-A200 PolarHBondContact OD1-N 3.01Å; A200-K204 WeakPolarHBondContact O-CB 3.38Å; A200-K204 PolarHBondContact O-N 2.99Å
201	Q	98.8	Very high	98.6	Very high	11 Å²	11	45.7 Å²	45.7	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-43.5	174.6	-70.7	169	-20.1	0	0	111.1	G197 N198 K199 K204 Y205 I287 D324 V326	G197-Q201 VanDerWaalsContact CA-OE1 3.26Å; N198-Q201 VanDerWaalsContact ND2-CD 3.32Å; N198-Q201 PolarHBondContact ND2-OE1 3.23Å; N198-Q201 PolarHBondContact O-N 2.85Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.25Å; N198-Q201 PolarHBondContact OD1-N 2.88Å; K199-Q201 PolarHBondContact O-N 2.87Å; Q201-K204 PolarHBondContact O-N 3.17Å; Q201-Y205 HydrophobicContact CB-CD2 4.35Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.31Å; Q201-Y205 PolarHBondContact O-N 3.49Å; Q201-I287 HydrophobicContact CB-CD1 4.11Å; Q201-I287 HydrophobicContact CG-CD1 4.01Å; Q201-D324 PolarHBondContact NE2-O 2.99Å; Q201-V326 PolarHBondContact NE2-O 3.14Å
202	K	98.8	Very high	98.6	Very high	62 Å²	62	45.5 Å²	45.5	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-62.1	-51.1	178.5	-73.6	-176	176.2	-173.8	0	111.7	L154 I193 L194 G197 N198 K199 K204 L206	L154-K202 HydrophobicContact CD1-CB 4.34Å; I193-K202 HydrophobicContact CG2-CG 4.3Å; I193-K202 WeakPolarHBondContact O-CE 3.27Å; L194-K202 WeakPolarHBondContact O-CE 3.43Å; L194-K202 PolarHBondContact O-NZ 2.97Å; G197-K202 WeakPolarHBondContact O-CE 3.33Å; N198-K202 WeakPolarHBondContact O-CG 3.33Å; N198-K202 PolarHBondContact O-N 3.1Å; K199-K202 PolarHBondContact O-N 2.53Å; K202-K204 VanDerWaalsContact C-N 3.31Å; K202-K204 PolarHBondContact O-N 3.48Å; K202-L206 HydrophobicContact CB-CD1 3.79Å; K202-L206 HydrophobicContact CB-CG 4.5Å; K202-L206 HydrophobicContact CD-CD1 4.43Å; K202-L206 HydrophobicContact CG-CD1 3.83Å; K202-L206 VanDerWaalsContact O-CB 3.25Å; K202-L206 WeakPolarHBondContact O-CB 3.26Å; K202-L206 WeakPolarHBondContact O-CG 3Å; K202-L206 PolarHBondContact O-N 2.77Å
203	E	98.7	Very high	98.6	Very high	104 Å²	104	50.9 Å²	50.9	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-37.5	178.6	-71.3	173	166.6	0	0	112.3	L154 K199 P207	L154-E203 HydrophobicContact CD2-CG 4.15Å; K199-E203 WeakPolarHBondContact CE-OE1 3.29Å; K199-E203 HydrophobicContact CG-CG 4.43Å; K199-E203 IonicContact NZ-OE1 3.1Å; K199-E203 WeakPolarHBondContact O-CG 3.34Å; K199-E203 PolarHBondContact O-N 3.36Å; E203-P207 WeakPolarHBondContact O-CD 3.49Å
204	K	98.7	Very high	98.6	Very high	110 Å²	110	53 Å²	53	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-69.1	-47	179.4	-177.4	-178.9	174.5	-162.5	0	112.9	A200 Q201 K202 E289	A200-K204 WeakPolarHBondContact O-CB 3.38Å; A200-K204 PolarHBondContact O-N 2.99Å; Q201-K204 PolarHBondContact O-N 3.17Å; K202-K204 VanDerWaalsContact C-N 3.31Å; K202-K204 PolarHBondContact O-N 3.48Å; K204-E289 WeakPolarHBondContact CE-OE1 3.22Å; K204-E289 IonicContact NZ-OE1 2.71Å; K204-E289 PolarHBondContact NZ-OE1 3.07Å
205	Y	98.9	Very high	98.6	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-100.5	-39.5	-166.3	-63.2	-66	0	0	0	113.9	I193 Q201 K208 L209 I262 I287 E289 C325	I193-Y205 HydrophobicContact CD1-CD2 4.23Å; I193-Y205 HydrophobicContact CD1-CG 4.22Å; Q201-Y205 HydrophobicContact CB-CD2 4.35Å; Q201-Y205 WeakPolarHBondContact O-CD2 3.31Å; Q201-Y205 PolarHBondContact O-N 3.49Å; Y205-K208 PolarHBondContact O-N 3.47Å; Y205-L209 WeakPolarHBondContact O-CD1 3.27Å; Y205-L209 VanDerWaalsContact O-CG 3.24Å; Y205-L209 WeakPolarHBondContact O-CG 3.31Å; Y205-L209 PolarHBondContact O-N 3.39Å; Y205-I262 HydrophobicContact CD1-CD1 3.95Å; Y205-I262 HydrophobicContact CE1-CD1 4.1Å; Y205-I287 HydrophobicContact CD1-CG2 4.39Å; Y205-I287 HydrophobicContact CD2-CD1 3.81Å; Y205-I287 HydrophobicContact CD2-CG2 4.1Å; Y205-I287 HydrophobicContact CE1-CG2 4.03Å; Y205-I287 HydrophobicContact CE2-CB 4.28Å; Y205-I287 HydrophobicContact CE2-CD1 3.65Å; Y205-I287 HydrophobicContact CE2-CG2 3.71Å; Y205-I287 HydrophobicContact CG-CG2 4.43Å; Y205-E289 HydrophobicContact CE1-CG 3.97Å; Y205-E289 WeakPolarHBondContact CE1-OE1 3.1Å; Y205-E289 PolarHBondContact OH-OE1 3.25Å; Y205-C325 PolarHBondContact OH-SG 3.09Å; Y205-C325 VanDerWaalsContact OH-SG 3.38Å
206	L	98.9	Very high	98.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-36.2	-167.7	-66	176.2	0	0	0	114.9	V150 L154 F190 I193 L194 K202 K208 L209 A210	V150-L206 HydrophobicContact CG1-CB 3.95Å; V150-L206 HydrophobicContact CG2-CD2 4.3Å; L154-L206 HydrophobicContact CB-CB 4.35Å; L154-L206 HydrophobicContact CD1-CD1 3.89Å; F190-L206 HydrophobicContact CD2-CD2 3.71Å; F190-L206 HydrophobicContact CE2-CD2 4.08Å; I193-L206 HydrophobicContact CB-CD2 4.25Å; I193-L206 HydrophobicContact CG2-CD1 4.48Å; I193-L206 HydrophobicContact CG2-CD2 3.97Å; I193-L206 HydrophobicContact CG2-CG 4.07Å; L194-L206 HydrophobicContact CD2-CD1 3.74Å; L194-L206 HydrophobicContact CD2-CD2 4.12Å; L194-L206 HydrophobicContact CG-CD2 4.17Å; K202-L206 HydrophobicContact CB-CD1 3.79Å; K202-L206 HydrophobicContact CB-CG 4.5Å; K202-L206 HydrophobicContact CD-CD1 4.43Å; K202-L206 HydrophobicContact CG-CD1 3.83Å; K202-L206 VanDerWaalsContact O-CB 3.25Å; K202-L206 WeakPolarHBondContact O-CB 3.26Å; K202-L206 WeakPolarHBondContact O-CG 3Å; K202-L206 PolarHBondContact O-N 2.77Å; L206-K208 PolarHBondContact O-N 3.22Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 3.21Å; L206-A210 VanDerWaalsContact O-CB 3.27Å; L206-A210 WeakPolarHBondContact O-CB 3.36Å; L206-A210 PolarHBondContact O-N 2.9Å
207	P	98.8	Very high	98.7	Very high	51 Å²	51	46.1 Å²	46.1	33%	0.331	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-43.8	179.3	-26.6	35.9	0	0	0	114.2	L154 E203 A210 S211	L154-P207 VanDerWaalsContact O-CA 3.29Å; L154-P207 WeakPolarHBondContact O-CA 3.42Å; E203-P207 WeakPolarHBondContact O-CD 3.49Å; P207-A210 PolarHBondContact O-N 3.42Å; P207-S211 PolarHBondContact O-N 2.94Å; P207-S211 PolarHBondContact O-OG 3.29Å
208	K	98.8	Very high	98.7	Very high	83 Å²	83	46.6 Å²	46.6	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-73.5	-29.1	178	-67.2	-164.6	171	-150.7	0	113.1	Y205 L206 S211 G212 E213 H214	Y205-K208 PolarHBondContact O-N 3.47Å; L206-K208 PolarHBondContact O-N 3.22Å; K208-S211 PolarHBondContact O-OG 3.38Å; K208-G212 PolarHBondContact O-N 2.78Å; K208-E213 HydrophobicContact CB-CB 4.4Å; K208-E213 WeakPolarHBondContact CE-OE1 3.45Å; K208-E213 IonicContact NZ-OE1 2.63Å; K208-E213 PolarHBondContact NZ-OE1 2.86Å; K208-E213 IonicContact NZ-OE2 3.52Å; K208-E213 PolarHBondContact O-N 3.4Å; K208-E213 VanDerWaalsContact O-N 3.15Å; K208-H214 HydrophobicContact CB-CB 4.25Å; K208-H214 PolarHBondContact O-N 3.18Å
209	L	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.9	-46	172.7	-70.1	166.4	0	0	0	110.5	H185 F190 I193 Y205 L206 S211 G212 H214 A216 I262	H185-L209 PolarHBondContact CE1-O 2.87Å; H185-L209 VanDerWaalsContact CE1-O 3.31Å; H185-L209 PolarHBondContact NE2-O 3.4Å; F190-L209 HydrophobicContact CB-CD1 3.52Å; F190-L209 HydrophobicContact CB-CD2 4.28Å; F190-L209 HydrophobicContact CB-CG 4.43Å; F190-L209 HydrophobicContact CD1-CB 4.07Å; F190-L209 HydrophobicContact CD1-CD1 4.29Å; F190-L209 HydrophobicContact CD1-CD2 4.22Å; F190-L209 HydrophobicContact CD1-CG 4.45Å; F190-L209 HydrophobicContact CD2-CD1 4.47Å; F190-L209 HydrophobicContact CE1-CB 4.34Å; F190-L209 HydrophobicContact CG-CB 4.38Å; F190-L209 HydrophobicContact CG-CD1 3.89Å; I193-L209 HydrophobicContact CD1-CD1 4Å; Y205-L209 WeakPolarHBondContact O-CD1 3.27Å; Y205-L209 VanDerWaalsContact O-CG 3.24Å; Y205-L209 WeakPolarHBondContact O-CG 3.31Å; Y205-L209 PolarHBondContact O-N 3.39Å; L206-L209 HydrophobicContact CD2-CD1 4.25Å; L206-L209 PolarHBondContact O-N 3.21Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.31Å; L209-G212 PolarHBondContact O-N 2.84Å; L209-H214 HydrophobicContact CD2-CB 4.38Å; L209-A216 HydrophobicContact CD2-CB 3.72Å; L209-I262 HydrophobicContact CD2-CB 4.16Å; L209-I262 HydrophobicContact CD2-CG1 4.09Å
210	A	98.8	Very high	98.8	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.017	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-37.6	-177	0	0	0	0	0	113.5	F146 G147 V150 G155 L206 P207 G212	F146-A210 CarbonylContact C-O 3.53Å; G147-A210 WeakPolarHBondContact CA-O 3.36Å; G147-A210 PolarHBondContact N-O 2.95Å; G147-A210 VanDerWaalsContact N-O 3.11Å; V150-A210 HydrophobicContact CB-CB 3.97Å; V150-A210 HydrophobicContact CG1-CB 3.98Å; V150-A210 HydrophobicContact CG2-CB 4.07Å; G155-A210 WeakPolarHBondContact O-CB 3.37Å; L206-A210 VanDerWaalsContact O-CB 3.27Å; L206-A210 WeakPolarHBondContact O-CB 3.36Å; L206-A210 PolarHBondContact O-N 2.9Å; P207-A210 PolarHBondContact O-N 3.42Å; A210-G212 VanDerWaalsContact C-N 3.29Å
211	S	98.6	Very high	98.8	Very high	52 Å²	52	35.2 Å²	35.2	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.9	174.3	53.2	0	0	0	0	113.9	P207 K208 L209 E213	P207-S211 PolarHBondContact O-N 2.94Å; P207-S211 PolarHBondContact O-OG 3.29Å; K208-S211 PolarHBondContact O-OG 3.38Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.31Å; S211-E213 PolarHBondContact O-N 3.06Å
212	G	98.4	Very high	98.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	11.6	-172.7	0	0	0	0	0	114.5	K141 K208 L209 A210 H214	K141-G212 VanDerWaalsContact CE-O 3.3Å; K141-G212 WeakPolarHBondContact CE-O 3.08Å; K208-G212 PolarHBondContact O-N 2.78Å; L209-G212 PolarHBondContact O-N 2.84Å; A210-G212 VanDerWaalsContact C-N 3.29Å; G212-H214 PolarHBondContact O-N 2.98Å
213	E	98.5	Very high	98.7	Very high	113 Å²	113	36.6 Å²	36.6	53%	0.528	19%	0.19	S	C	.	.	S	Bend	trans	-56.8	-44.5	167.3	-175.8	-169	150.4	0	0	109.6	K208 S211	K208-E213 HydrophobicContact CB-CB 4.4Å; K208-E213 WeakPolarHBondContact CE-OE1 3.45Å; K208-E213 IonicContact NZ-OE1 2.63Å; K208-E213 PolarHBondContact NZ-OE1 2.86Å; K208-E213 IonicContact NZ-OE2 3.52Å; K208-E213 PolarHBondContact O-N 3.4Å; K208-E213 VanDerWaalsContact O-N 3.15Å; S211-E213 PolarHBondContact O-N 3.06Å
214	H	98.8	Very high	98.4	Very high	44 Å²	44	34.6 Å²	34.6	20%	0.204	19%	0.191	C	C	.	.	S	Bend	trans	-109	125.1	170.6	-71.3	-177.2	0	0	0	110.3	H185 K208 L209 G212 E261 I262	H185-H214 PolarHBondContact CE1-O 3.44Å; K208-H214 HydrophobicContact CB-CB 4.25Å; K208-H214 PolarHBondContact O-N 3.18Å; L209-H214 HydrophobicContact CD2-CB 4.38Å; G212-H214 PolarHBondContact O-N 2.98Å; H214-E261 HydrophobicContact CB-CB 4.16Å; H214-I262 HydrophobicContact CB-CG1 4.11Å
215	I	98.9	Very high	98.2	Very high	18 Å²	18	29.4 Å²	29.4	9%	0.092	17%	0.169	C	C	.	.			trans	-85.8	149.7	170.3	-63.4	175.8	0	0	0	109.3	F146 N256 L259 A260 E261 I262	F146-I215 HydrophobicContact CE1-CD1 4.46Å; F146-I215 HydrophobicContact CE1-CG1 4.15Å; I215-N256 HydrophobicContact CG2-CB 3.85Å; I215-L259 HydrophobicContact CD1-CB 4.19Å; I215-L259 HydrophobicContact CG2-CB 4.36Å; I215-A260 HydrophobicContact CG2-CB 4.39Å; I215-A260 CarbonylContact O-C 3.57Å; I215-A260 VanDerWaalsContact O-CA 3.28Å; I215-A260 WeakPolarHBondContact O-CA 3.3Å; I215-A260 WeakPolarHBondContact O-CB 3.46Å; I215-E261 PolarHBondContact O-N 3.33Å; I215-I262 PolarHBondContact O-N 3.16Å; I215-I262 VanDerWaalsContact O-N 3.17Å
216	A	98.9	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.8	-178.9	0	0	0	0	0	112	H185 F190 L209 N256 I262	H185-A216 WeakPolarHBondContact ND1-CB 3.49Å; H185-A216 PolarHBondContact ND1-N 2.99Å; F190-A216 HydrophobicContact CB-CB 4.14Å; F190-A216 HydrophobicContact CD1-CB 4.25Å; L209-A216 HydrophobicContact CD2-CB 3.72Å; A216-N256 PolarHBondContact O-ND2 3.13Å; A216-I262 CarbonylContact C-O 3.59Å; A216-I262 WeakPolarHBondContact CA-O 3.11Å
217	A	98.9	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	151	175	0	0	0	0	0	112.1	I254 S255 N256 A260 I262 F263 T264	A217-I254 HydrophobicContact CB-CG2 3.75Å; A217-S255 WeakPolarHBondContact CB-O 3.38Å; A217-N256 HydrophobicContact CB-CB 4.31Å; A217-A260 HydrophobicContact CB-CB 3.57Å; A217-I262 PolarHBondContact N-O 3.48Å; A217-F263 HydrophobicContact CB-CD1 3.75Å; A217-F263 HydrophobicContact CB-CE1 4.05Å; A217-F263 WeakPolarHBondContact O-CA 3.41Å; A217-T264 PolarHBondContact O-N 3.24Å
218	F	98.9	Very high	97.5	Very high	22 Å²	22	33.1 Å²	33.1	10%	0.096	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.1	178.4	179	-92.8	0	0	0	110.1	I188 L220 F266 A337 I340 L341	I188-F218 HydrophobicContact CB-CB 4.08Å; I188-F218 HydrophobicContact CB-CD2 4.12Å; I188-F218 HydrophobicContact CB-CG 4.11Å; I188-F218 HydrophobicContact CD1-CB 3.82Å; I188-F218 HydrophobicContact CD1-CD1 4.3Å; I188-F218 HydrophobicContact CD1-CG 4.17Å; I188-F218 HydrophobicContact CG1-CB 3.8Å; I188-F218 HydrophobicContact CG1-CG 4.29Å; F218-L220 HydrophobicContact CD1-CB 4.06Å; F218-L220 HydrophobicContact CE1-CB 3.39Å; F218-L220 HydrophobicContact CE1-CD2 3.8Å; F218-L220 HydrophobicContact CE1-CG 4.25Å; F218-L220 HydrophobicContact CZ-CB 4.01Å; F218-L220 HydrophobicContact CZ-CD2 4Å; F218-F266 AromaticContact CD2-CE2 3.78Å; F218-F266 HydrophobicContact CD2-CE2 3.78Å; F218-F266 HydrophobicContact CD2-CZ 4.26Å; F218-F266 HydrophobicContact CE1-CE2 4.13Å; F218-F266 HydrophobicContact CE2-CD2 4.4Å; F218-F266 AromaticContact CE2-CE2 3.2Å; F218-F266 HydrophobicContact CE2-CE2 3.2Å; F218-F266 AromaticContact CE2-CZ 3.43Å; F218-F266 HydrophobicContact CE2-CZ 3.43Å; F218-F266 VanDerWaalsContact CE2-CZ 3.43Å; F218-F266 HydrophobicContact CG-CE2 4.47Å; F218-F266 HydrophobicContact CZ-CD2 4.27Å; F218-F266 AromaticContact CZ-CE2 3.39Å; F218-F266 HydrophobicContact CZ-CE2 3.39Å; F218-F266 AromaticContact CZ-CZ 3.81Å; F218-F266 HydrophobicContact CZ-CZ 3.81Å; F218-A337 HydrophobicContact CZ-CB 4.45Å; F218-I340 HydrophobicContact CD2-CG2 4.24Å; F218-I340 HydrophobicContact CE2-CB 4.34Å; F218-I340 HydrophobicContact CE2-CD1 4.08Å; F218-I340 HydrophobicContact CE2-CG2 3.9Å; F218-L341 HydrophobicContact CE1-CD2 4.34Å; F218-L341 HydrophobicContact CZ-CD2 4.37Å
219	C	98.9	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	78.1	-167.1	-80.5	0	0	0	0	112.1	K251 F263 T264 V265 F266	C219-K251 HydrophobicContact CB-CG 4.03Å; C219-K251 VanDerWaalsContact O-CE 3.3Å; C219-K251 WeakPolarHBondContact O-CE 3.3Å; C219-F263 VanDerWaalsContact SG-CD1 3.58Å; C219-T264 WeakPolarHBondContact CB-O 3.49Å; C219-T264 PolarHBondContact N-O 3.3Å; C219-V265 HydrophobicContact CB-CB 4.24Å; C219-V265 HydrophobicContact CB-CG1 4.27Å; C219-V265 HydrophobicContact CB-CG2 3.87Å; C219-F266 WeakPolarHBondContact O-CD2 3.36Å; C219-F266 PolarHBondContact O-N 3.3Å; C219-F266 VanDerWaalsContact O-N 3.15Å
220	L	98.6	Very high	96.8	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	21%	0.205	C	C	.	.			trans	-108.6	-57.7	179	-179.1	60.2	0	0	0	112.8	F218 A229 I232 K251 F266 A337	F218-L220 HydrophobicContact CD1-CB 4.06Å; F218-L220 HydrophobicContact CE1-CB 3.39Å; F218-L220 HydrophobicContact CE1-CD2 3.8Å; F218-L220 HydrophobicContact CE1-CG 4.25Å; F218-L220 HydrophobicContact CZ-CB 4.01Å; F218-L220 HydrophobicContact CZ-CD2 4Å; L220-A229 HydrophobicContact CD1-CB 4.25Å; L220-A229 HydrophobicContact CD2-CB 4.01Å; L220-A229 HydrophobicContact CG-CB 4.36Å; L220-I232 HydrophobicContact CD1-CG2 4.45Å; L220-K251 PolarHBondContact O-NZ 2.98Å; L220-F266 HydrophobicContact CB-CD2 3.87Å; L220-F266 HydrophobicContact CB-CE2 4.36Å; L220-F266 HydrophobicContact CD1-CB 3.77Å; L220-F266 HydrophobicContact CD1-CD2 3.83Å; L220-F266 HydrophobicContact CD1-CG 3.8Å; L220-F266 HydrophobicContact CG-CD2 4.41Å; L220-A337 HydrophobicContact CD2-CB 4.4Å
221	T	98.4	Very high	96.6	Very high	45 Å²	45	33.1 Å²	33.1	28%	0.276	22%	0.216	S	C	.	.			trans	-64	141.1	-169.9	-56.6	0	0	0	0	113	K251 I252	T221-K251 VanDerWaalsContact O-CA 3.3Å; T221-K251 WeakPolarHBondContact O-CA 3.4Å; T221-K251 WeakPolarHBondContact O-CD 3.41Å; T221-I252 HydrophobicContact CG2-CG2 3.89Å; T221-I252 PolarHBondContact O-N 3.34Å
222	E	98.7	Very high	96.6	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.056	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-131.2	161.3	177.8	-62.3	-172.3	-177.4	0	0	110.3	A224 S225 I232 K233 T234 S250 K251	E222-A224 PolarHBondContact O-N 3.43Å; E222-S225 PolarHBondContact N-O 3.46Å; E222-S225 CarbonylContact O-C 3.06Å; E222-S225 PolarHBondContact O-N 3.43Å; E222-I232 HydrophobicContact CG-CB 4.47Å; E222-I232 HydrophobicContact CG-CG2 4.22Å; E222-I232 WeakPolarHBondContact OE1-CB 3.45Å; E222-K233 PolarHBondContact OE1-N 3.39Å; E222-K233 WeakPolarHBondContact OE2-CA 3.46Å; E222-K233 WeakPolarHBondContact OE2-CB 3.31Å; E222-K233 PolarHBondContact OE2-N 2.93Å; E222-T234 WeakPolarHBondContact OE1-CB 3.21Å; E222-T234 PolarHBondContact OE1-N 2.95Å; E222-T234 PolarHBondContact OE1-OG1 3.28Å; E222-S250 WeakPolarHBondContact CG-O 3.47Å; E222-K251 HydrophobicContact CG-CD 3.82Å; E222-K251 IonicContact OE1-NZ 3.84Å; E222-K251 PolarHBondContact OE1-NZ 3.41Å
223	P	96.8	Very high	96.6	Very high	90 Å²	90	37.4 Å²	37.4	58%	0.584	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-32.6	179.8	-29.4	35.8	0	0	0	114.2	I252	P223-I252 HydrophobicContact CG-CB 4.27Å; P223-I252 HydrophobicContact CG-CD1 4.23Å; P223-I252 HydrophobicContact CG-CG2 4.31Å
224	A	94.3	Very high	96.6	Very high	61 Å²	61	32.1 Å²	32.1	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-5.7	179.1	0	0	0	0	0	114.4	E222	E222-A224 PolarHBondContact O-N 3.43Å
225	S	93.5	Very high	96.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-141.3	96.8	-169.2	-58.5	0	0	0	0	111.4	E222 S231 I232	E222-S225 PolarHBondContact N-O 3.46Å; E222-S225 CarbonylContact O-C 3.06Å; E222-S225 PolarHBondContact O-N 3.43Å; S225-S231 PolarHBondContact OG-O 3.34Å; S225-S231 PolarHBondContact OG-OG 2.85Å; S225-I232 PolarHBondContact OG-N 2.91Å
226	G	95.4	Very high	96.6	Very high	47 Å²	47	31.7 Å²	31.7	49%	0.485	20%	0.204	S	C	.	.	S	Bend	trans	-102.3	-94.6	171.3	0	0	0	0	0	111.5	D228	G226-D228 VanDerWaalsContact C-N 3.26Å; G226-D228 PolarHBondContact O-N 3.45Å
227	S	92.1	Very high	96.6	Very high	67 Å²	67	36 Å²	36	47%	0.469	23%	0.227	S	C	.	.	S	Bend	trans	-60.9	-33.8	178.8	-56.2	0	0	0	0	113.5	A229	S227-A229 VanDerWaalsContact C-N 3.35Å; S227-A229 PolarHBondContact O-N 2.93Å
228	D	94	Very high	96.5	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.128	25%	0.252	C	S	.	.			trans	-86.7	74.9	174.1	179.8	23.8	0	0	0	110.5	A46 G226 A230 S231	A46-D228 HydrophobicContact CB-CB 4.39Å; G226-D228 VanDerWaalsContact C-N 3.26Å; G226-D228 PolarHBondContact O-N 3.45Å; D228-A230 PolarHBondContact O-N 2.81Å; D228-A230 VanDerWaalsContact O-N 3.16Å; D228-S231 VanDerWaalsContact CG-OG 3.28Å; D228-S231 PolarHBondContact O-N 3.33Å; D228-S231 PolarHBondContact O-OG 2.99Å; D228-S231 WeakPolarHBondContact OD2-CB 3.25Å; D228-S231 PolarHBondContact OD2-OG 3.48Å
229	A	90.1	Very high	96.4	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-64.1	-16.9	-179.1	0	0	0	0	0	113.5	L220 S227 S231 I232 I283 F334	L220-A229 HydrophobicContact CD1-CB 4.25Å; L220-A229 HydrophobicContact CD2-CB 4.01Å; L220-A229 HydrophobicContact CG-CB 4.36Å; S227-A229 VanDerWaalsContact C-N 3.35Å; S227-A229 PolarHBondContact O-N 2.93Å; A229-S231 VanDerWaalsContact C-N 3.31Å; A229-I232 WeakPolarHBondContact O-CG2 3.45Å; A229-I283 WeakPolarHBondContact O-CD1 3.44Å; A229-F334 HydrophobicContact CB-CE2 4.16Å
230	A	93.1	Very high	96.3	Very high	40 Å²	40	46.3 Å²	46.3	33%	0.331	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-74.4	-22.1	177.9	0	0	0	0	0	112.7	A49 D228 I232 F334	A49-A230 HydrophobicContact CB-CB 4.44Å; D228-A230 PolarHBondContact O-N 2.81Å; D228-A230 VanDerWaalsContact O-N 3.16Å; A230-I232 VanDerWaalsContact C-N 3.35Å; A230-I232 PolarHBondContact O-N 2.91Å; A230-F334 HydrophobicContact CB-CE2 4.25Å
231	S	95.5	Very high	96.1	Very high	36 Å²	36	49.4 Å²	49.4	25%	0.252	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-86.8	4.2	-176.1	59.7	0	0	0	0	115.6	S225 D228 A229	S225-S231 PolarHBondContact OG-O 3.34Å; S225-S231 PolarHBondContact OG-OG 2.85Å; D228-S231 VanDerWaalsContact CG-OG 3.28Å; D228-S231 PolarHBondContact O-N 3.33Å; D228-S231 PolarHBondContact O-OG 2.99Å; D228-S231 WeakPolarHBondContact OD2-CB 3.25Å; D228-S231 PolarHBondContact OD2-OG 3.48Å; A229-S231 VanDerWaalsContact C-N 3.31Å
232	I	98	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	33%	0.325	C	S	.	.			trans	-50	149.8	178.5	60.6	162.2	0	0	0	112.5	L220 E222 S225 A229 A230 F266 K268 I283	L220-I232 HydrophobicContact CD1-CG2 4.45Å; E222-I232 HydrophobicContact CG-CB 4.47Å; E222-I232 HydrophobicContact CG-CG2 4.22Å; E222-I232 WeakPolarHBondContact OE1-CB 3.45Å; S225-I232 PolarHBondContact OG-N 2.91Å; A229-I232 WeakPolarHBondContact O-CG2 3.45Å; A230-I232 VanDerWaalsContact C-N 3.35Å; A230-I232 PolarHBondContact O-N 2.91Å; I232-F266 HydrophobicContact CD1-CB 4.06Å; I232-F266 WeakPolarHBondContact CD1-O 3.44Å; I232-K268 HydrophobicContact CG1-CG 4.48Å; I232-K268 WeakPolarHBondContact O-CD 3.48Å; I232-K268 WeakPolarHBondContact O-CE 3.41Å; I232-K268 PolarHBondContact O-NZ 3.41Å; I232-I283 HydrophobicContact CD1-CD1 3.82Å; I232-I283 HydrophobicContact CD1-CG1 3.92Å; I232-I283 HydrophobicContact CD1-CG2 4.04Å; I232-I283 HydrophobicContact CG1-CD1 3.75Å; I232-I283 HydrophobicContact CG1-CG1 4.07Å
233	K	98.3	Very high	95.9	Very high	144 Å²	144	56 Å²	56	63%	0.626	36%	0.355	S	S	*	.			trans	-115.1	-16.2	-173.3	-62.6	-175.5	178.8	179.9	0	113.5	E222 T235	E222-K233 PolarHBondContact OE1-N 3.39Å; E222-K233 WeakPolarHBondContact OE2-CA 3.46Å; E222-K233 WeakPolarHBondContact OE2-CB 3.31Å; E222-K233 PolarHBondContact OE2-N 2.93Å; K233-T235 WeakPolarHBondContact O-CG2 3.01Å; K233-T235 PolarHBondContact O-N 2.93Å
234	T	98.8	Very high	96	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	34%	0.338	C	S	.	.			trans	-53.4	131	171.9	-61.6	0	0	0	0	109.4	E222 L247 N248 K251 A267 K268	E222-T234 WeakPolarHBondContact OE1-CB 3.21Å; E222-T234 PolarHBondContact OE1-N 2.95Å; E222-T234 PolarHBondContact OE1-OG1 3.28Å; T234-L247 HydrophobicContact CG2-CD1 3.58Å; T234-L247 HydrophobicContact CG2-CG 4.43Å; T234-N248 WeakPolarHBondContact CA-O 3.29Å; T234-N248 WeakPolarHBondContact CG2-O 3.28Å; T234-K251 WeakPolarHBondContact OG1-CE 3.19Å; T234-K251 PolarHBondContact OG1-NZ 2.92Å; T234-A267 HydrophobicContact CG2-CB 3.75Å; T234-A267 CarbonylContact O-C 3.49Å; T234-A267 WeakPolarHBondContact O-CA 3.43Å; T234-K268 PolarHBondContact O-N 2.96Å
235	T	98.6	Very high	96.2	Very high	51 Å²	51	52.6 Å²	52.6	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.1	-176.1	62.6	0	0	0	0	111.6	K233 L247 N248 K268	K233-T235 WeakPolarHBondContact O-CG2 3.01Å; K233-T235 PolarHBondContact O-N 2.93Å; T235-L247 WeakPolarHBondContact O-CA 3.19Å; T235-L247 WeakPolarHBondContact O-CD1 3.36Å; T235-N248 PolarHBondContact N-O 3.11Å; T235-N248 PolarHBondContact O-N 3.3Å; T235-K268 CarbonylContact C-O 3.53Å; T235-K268 WeakPolarHBondContact CA-O 3.48Å
236	A	98.7	Very high	96.5	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.2	172.1	0	0	0	0	0	109.1	Y245 T246 L247 A267 K268 T269 F286	A236-Y245 HydrophobicContact CB-CD1 4.16Å; A236-T246 WeakPolarHBondContact CA-O 3.46Å; A236-L247 HydrophobicContact CB-CD1 4.18Å; A236-A267 HydrophobicContact CB-CB 3.91Å; A236-K268 PolarHBondContact N-O 3.45Å; A236-T269 HydrophobicContact CB-CG2 3.87Å; A236-T269 WeakPolarHBondContact O-CG2 3.37Å; A236-F286 HydrophobicContact CB-CE2 3.66Å; A236-F286 HydrophobicContact CB-CZ 3.63Å
237	L	98.1	Very high	96.6	Very high	92 Å²	92	52 Å²	52	48%	0.482	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.2	-178.2	-60.5	-178	0	0	0	110.1	S239 Y245 T246 P270	L237-S239 PolarHBondContact O-N 3.48Å; L237-Y245 CarbonylContact O-C 3.49Å; L237-Y245 VanDerWaalsContact O-CA 3.24Å; L237-Y245 WeakPolarHBondContact O-CA 3.36Å; L237-T246 PolarHBondContact N-O 2.99Å; L237-T246 PolarHBondContact O-N 2.93Å; L237-P270 HydrophobicContact CD2-CG 3.67Å
238	V	97.4	Very high	97	Very high	85 Å²	85	51.2 Å²	51.2	52%	0.515	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.7	176.6	67.3	0	0	0	0	110.1	Y245	V238-Y245 HydrophobicContact CB-CD1 3.98Å; V238-Y245 HydrophobicContact CB-CE1 3.69Å; V238-Y245 HydrophobicContact CG2-CE1 4.18Å
239	S	97.3	Very high	97.2	Very high	15 Å²	15	51.5 Å²	51.5	11%	0.105	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.2	155.1	173.3	55.3	0	0	0	0	111.8	L237 C241 G242 K243 F244	L237-S239 PolarHBondContact O-N 3.48Å; S239-C241 PolarHBondContact O-N 2.99Å; S239-G242 PolarHBondContact O-N 3.35Å; S239-G242 PolarHBondContact OG-N 3.33Å; S239-K243 PolarHBondContact OG-N 3.19Å; S239-F244 VanDerWaalsContact CB-CE1 3.48Å; S239-F244 VanDerWaalsContact CB-CZ 3.49Å; S239-F244 VanDerWaalsContact CB-O 3.3Å; S239-F244 WeakPolarHBondContact CB-O 3.35Å; S239-F244 PolarHBondContact N-O 3.3Å; S239-F244 WeakPolarHBondContact OG-CD1 3.34Å; S239-F244 PolarHBondContact OG-N 2.69Å; S239-F244 VanDerWaalsContact OG-N 3.17Å; S239-F244 PolarHBondContact OG-O 3.45Å
240	S	95.8	Very high	97.6	Very high	138 Å²	138	52.9 Å²	52.9	97%	0.965	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.4	177.3	54.6	0	0	0	0	113.5	G242	S240-G242 VanDerWaalsContact C-N 3.34Å
241	C	95.8	Very high	97.9	Very high	76 Å²	76	51 Å²	51	51%	0.514	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.6	176	65.2	0	0	0	0	113.8	S239 K243	S239-C241 PolarHBondContact O-N 2.99Å; C241-K243 HydrophobicContact CB-CG 4.42Å; C241-K243 PolarHBondContact O-N 3.03Å
242	G	95.7	Very high	98	Very high	38 Å²	38	50.3 Å²	50.3	39%	0.392	29%	0.292	S	S	.	.	S	Bend	trans	70.1	5.7	179.7	0	0	0	0	0	115.4	S239 S240 A323	S239-G242 PolarHBondContact O-N 3.35Å; S239-G242 PolarHBondContact OG-N 3.33Å; S240-G242 VanDerWaalsContact C-N 3.34Å; G242-A323 WeakPolarHBondContact O-CB 3.45Å
243	K	97.8	Very high	98.1	Very high	158 Å²	158	58 Å²	58	69%	0.687	32%	0.321	S	S	*	.	S	Bend	trans	-86.6	-21.9	-172.8	-66.1	-175.5	176.5	-177.4	0	114.3	S239 C241 A323	S239-K243 PolarHBondContact OG-N 3.19Å; C241-K243 HydrophobicContact CB-CG 4.42Å; C241-K243 PolarHBondContact O-N 3.03Å; K243-A323 WeakPolarHBondContact O-CB 3.45Å; K243-A323 PolarHBondContact O-N 3.4Å
244	F	98.4	Very high	98.1	Very high	53 Å²	53	51.4 Å²	51.4	23%	0.232	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	166.2	179.3	67.7	-88.3	0	0	0	111.4	S239 R320 V321	S239-F244 VanDerWaalsContact CB-CE1 3.48Å; S239-F244 VanDerWaalsContact CB-CZ 3.49Å; S239-F244 VanDerWaalsContact CB-O 3.3Å; S239-F244 WeakPolarHBondContact CB-O 3.35Å; S239-F244 PolarHBondContact N-O 3.3Å; S239-F244 WeakPolarHBondContact OG-CD1 3.34Å; S239-F244 PolarHBondContact OG-N 2.69Å; S239-F244 VanDerWaalsContact OG-N 3.17Å; S239-F244 PolarHBondContact OG-O 3.45Å; F244-R320 HydrophobicContact CD2-CB 4.1Å; F244-R320 HydrophobicContact CD2-CG 4.03Å; F244-R320 HydrophobicContact CE2-CG 4Å; F244-V321 CarbonylContact C-O 3.58Å; F244-V321 WeakPolarHBondContact CA-O 3.45Å; F244-V321 WeakPolarHBondContact CB-O 3.47Å
245	Y	98.7	Very high	98.1	Very high	26 Å²	26	52.6 Å²	52.6	10%	0.102	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	141	168.6	-68.2	-101.1	0	0	0	109.6	A236 L237 V238 T269 F286 V319 R320 V321 A323 V326	A236-Y245 HydrophobicContact CB-CD1 4.16Å; L237-Y245 CarbonylContact O-C 3.49Å; L237-Y245 VanDerWaalsContact O-CA 3.24Å; L237-Y245 WeakPolarHBondContact O-CA 3.36Å; V238-Y245 HydrophobicContact CB-CD1 3.98Å; V238-Y245 HydrophobicContact CB-CE1 3.69Å; V238-Y245 HydrophobicContact CG2-CE1 4.18Å; Y245-T269 HydrophobicContact CD1-CG2 4.22Å; Y245-T269 HydrophobicContact CE1-CG2 3.95Å; Y245-F286 HydrophobicContact CD1-CE1 4.19Å; Y245-F286 HydrophobicContact CD1-CZ 4.04Å; Y245-F286 AromaticContact CD2-CE1 3.69Å; Y245-F286 HydrophobicContact CD2-CE1 3.69Å; Y245-F286 HydrophobicContact CD2-CZ 4.36Å; Y245-F286 HydrophobicContact CE1-CZ 4.33Å; Y245-F286 HydrophobicContact CE2-CE1 4.06Å; Y245-F286 AromaticContact CG-CE1 3.77Å; Y245-F286 HydrophobicContact CG-CE1 3.77Å; Y245-F286 HydrophobicContact CG-CZ 4.06Å; Y245-V319 VanDerWaalsContact O-O 3.13Å; Y245-R320 WeakPolarHBondContact O-CA 3.38Å; Y245-V321 PolarHBondContact N-O 3.31Å; Y245-V321 PolarHBondContact O-N 3.28Å; Y245-A323 HydrophobicContact CE2-CB 4.26Å; Y245-V326 HydrophobicContact CD2-CG2 4.45Å; Y245-V326 HydrophobicContact CE2-CG2 3.8Å
246	T	98.8	Very high	98.1	Very high	36 Å²	36	50.1 Å²	50.1	22%	0.221	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.5	166.8	-55.1	0	0	0	0	108.4	A236 L237 D318 V319	A236-T246 WeakPolarHBondContact CA-O 3.46Å; L237-T246 PolarHBondContact N-O 2.99Å; L237-T246 PolarHBondContact O-N 2.93Å; T246-D318 HydrophobicContact CG2-CB 4.2Å; T246-V319 WeakPolarHBondContact CA-O 3.33Å
247	L	98.8	Very high	98.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.2	-177.1	173.9	77.1	0	0	0	110.4	T234 T235 A236 V265 A267 V288 F316 D318 V319 V321	T234-L247 HydrophobicContact CG2-CD1 3.58Å; T234-L247 HydrophobicContact CG2-CG 4.43Å; T235-L247 WeakPolarHBondContact O-CA 3.19Å; T235-L247 WeakPolarHBondContact O-CD1 3.36Å; A236-L247 HydrophobicContact CB-CD1 4.18Å; L247-V265 HydrophobicContact CD1-CG1 4.32Å; L247-V265 HydrophobicContact CD2-CG1 4.08Å; L247-A267 HydrophobicContact CD1-CB 3.47Å; L247-A267 VanDerWaalsContact CD1-CB 3.47Å; L247-V288 HydrophobicContact CD2-CG2 3.97Å; L247-F316 HydrophobicContact CD2-CB 4.04Å; L247-F316 HydrophobicContact CD2-CD1 3.55Å; L247-F316 HydrophobicContact CD2-CE1 4.17Å; L247-F316 HydrophobicContact CD2-CG 3.81Å; L247-F316 HydrophobicContact CG-CB 4.04Å; L247-F316 HydrophobicContact CG-CD1 4.47Å; L247-F316 HydrophobicContact CG-CG 4.29Å; L247-D318 PolarHBondContact O-N 2.91Å; L247-V319 HydrophobicContact CB-CB 4.2Å; L247-V319 PolarHBondContact N-O 3.34Å; L247-V319 PolarHBondContact O-N 2.78Å; L247-V319 VanDerWaalsContact O-N 3.14Å; L247-V321 HydrophobicContact CB-CG2 4.03Å; L247-V321 HydrophobicContact CD2-CG2 4.13Å
248	N	98.9	Very high	98.1	Very high	51 Å²	51	46.5 Å²	46.5	27%	0.273	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.4	179.3	-84.2	-67.8	0	0	0	111.9	T234 T235 F316 D318	T234-N248 WeakPolarHBondContact CA-O 3.29Å; T234-N248 WeakPolarHBondContact CG2-O 3.28Å; T235-N248 PolarHBondContact N-O 3.11Å; T235-N248 PolarHBondContact O-N 3.3Å; N248-F316 WeakPolarHBondContact CA-O 3.47Å; N248-D318 PolarHBondContact ND2-OD1 2.95Å; N248-D318 PolarHBondContact OD1-N 3.48Å
249	G	98.6	Very high	98.2	Very high	30 Å²	30	46 Å²	46	31%	0.309	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-171.1	174.4	0	0	0	0	0	113.4	F316	G249-F316 PolarHBondContact N-O 3.33Å; G249-F316 PolarHBondContact O-N 2.69Å
250	S	98.6	Very high	98.3	Very high	38 Å²	38	45.3 Å²	45.3	27%	0.266	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151	174.5	67.5	0	0	0	0	110.8	E222 V314	E222-S250 WeakPolarHBondContact CG-O 3.47Å; S250-V314 CarbonylContact C-O 3.27Å; S250-V314 WeakPolarHBondContact CA-O 3.41Å
251	K	98.9	Very high	98.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145	175.8	-60.8	-64.3	-176.7	-173.8	0	108.7	C219 L220 T221 E222 T234 I254 F266 E313 V314 F316	C219-K251 HydrophobicContact CB-CG 4.03Å; C219-K251 VanDerWaalsContact O-CE 3.3Å; C219-K251 WeakPolarHBondContact O-CE 3.3Å; L220-K251 PolarHBondContact O-NZ 2.98Å; T221-K251 VanDerWaalsContact O-CA 3.3Å; T221-K251 WeakPolarHBondContact O-CA 3.4Å; T221-K251 WeakPolarHBondContact O-CD 3.41Å; E222-K251 HydrophobicContact CG-CD 3.82Å; E222-K251 IonicContact OE1-NZ 3.84Å; E222-K251 PolarHBondContact OE1-NZ 3.41Å; T234-K251 WeakPolarHBondContact OG1-CE 3.19Å; T234-K251 PolarHBondContact OG1-NZ 2.92Å; K251-I254 HydrophobicContact CB-CD1 3.88Å; K251-I254 HydrophobicContact CB-CG1 3.66Å; K251-F266 WeakPolarHBondContact CE-O 3.14Å; K251-F266 PolarHBondContact NZ-O 3.39Å; K251-E313 CarbonylContact O-C 3.57Å; K251-E313 WeakPolarHBondContact O-CA 3.43Å; K251-V314 HydrophobicContact CB-CB 4.5Å; K251-V314 PolarHBondContact N-O 3.44Å; K251-V314 PolarHBondContact O-N 2.98Å; K251-F316 HydrophobicContact CB-CE2 4.47Å; K251-F316 HydrophobicContact CG-CD2 4.44Å; K251-F316 HydrophobicContact CG-CE2 3.74Å
252	I	98.6	Very high	98.6	Very high	22 Å²	22	38.6 Å²	38.6	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.3	-175.1	-168.4	164.4	0	0	0	111.2	T221 P223 I254 E313	T221-I252 HydrophobicContact CG2-CG2 3.89Å; T221-I252 PolarHBondContact O-N 3.34Å; P223-I252 HydrophobicContact CG-CB 4.27Å; P223-I252 HydrophobicContact CG-CD1 4.23Å; P223-I252 HydrophobicContact CG-CG2 4.31Å; I252-I254 VanDerWaalsContact C-N 3.29Å; I252-I254 PolarHBondContact O-N 3.11Å; I252-E313 HydrophobicContact CB-CG 4.35Å; I252-E313 HydrophobicContact CD1-CG 4.48Å; I252-E313 HydrophobicContact CG1-CG 3.94Å
253	W	98.7	Very high	98.7	Very high	161 Å²	161	36.8 Å²	36.8	61%	0.61	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	56.1	40.7	179.7	-51.9	-34.9	0	0	0	114	S255 T311	W253-S255 PolarHBondContact O-N 3.34Å; W253-T311 HydrophobicContact CB-CG2 3.97Å
254	I	98.9	Very high	98.8	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	114.7	178.8	-57.4	-46.8	0	0	0	108.9	A217 K251 I252 N256 G257 T311 A312 V314	A217-I254 HydrophobicContact CB-CG2 3.75Å; K251-I254 HydrophobicContact CB-CD1 3.88Å; K251-I254 HydrophobicContact CB-CG1 3.66Å; I252-I254 VanDerWaalsContact C-N 3.29Å; I252-I254 PolarHBondContact O-N 3.11Å; I254-N256 PolarHBondContact O-N 2.81Å; I254-G257 PolarHBondContact O-N 3.31Å; I254-T311 WeakPolarHBondContact O-CA 3.39Å; I254-A312 WeakPolarHBondContact CB-O 3.39Å; I254-A312 PolarHBondContact N-O 3.04Å; I254-A312 PolarHBondContact O-N 3.35Å; I254-V314 HydrophobicContact CB-CG2 3.92Å; I254-V314 HydrophobicContact CG1-CG2 4.06Å; I254-V314 HydrophobicContact CG2-CG2 4.12Å
255	S	98.9	Very high	98.8	Very high	27 Å²	27	26.8 Å²	26.8	19%	0.189	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.6	171.1	-62.2	0	0	0	0	109.4	A184 A217 W253 G257 N310	A184-S255 VanDerWaalsContact CB-CB 3.45Å; A217-S255 WeakPolarHBondContact CB-O 3.38Å; W253-S255 PolarHBondContact O-N 3.34Å; S255-G257 PolarHBondContact O-N 2.97Å; S255-N310 VanDerWaalsContact CA-O 3.31Å; S255-N310 WeakPolarHBondContact CA-O 3.45Å
256	N	98.9	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	11.3	-170	-53.8	-21.6	0	0	0	115	T181 I215 A216 A217 I254 G258 L259 A260 N310	T181-N256 PolarHBondContact O-ND2 2.95Å; I215-N256 HydrophobicContact CG2-CB 3.85Å; A216-N256 PolarHBondContact O-ND2 3.13Å; A217-N256 HydrophobicContact CB-CB 4.31Å; I254-N256 PolarHBondContact O-N 2.81Å; N256-G258 PolarHBondContact O-N 3.11Å; N256-G258 VanDerWaalsContact O-N 3.17Å; N256-L259 HydrophobicContact CB-CB 4.47Å; N256-L259 PolarHBondContact O-N 2.93Å; N256-A260 HydrophobicContact CB-CB 4.45Å; N256-A260 VanDerWaalsContact O-CB 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.48Å; N256-A260 PolarHBondContact O-N 3.44Å; N256-N310 VanDerWaalsContact C-OD1 3.23Å; N256-N310 WeakPolarHBondContact CA-OD1 3.45Å; N256-N310 PolarHBondContact N-O 3.43Å; N256-N310 VanDerWaalsContact N-O 3.08Å
257	G	98.8	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34	-176.5	0	0	0	0	0	114.5	I254 S255 R290 N310	I254-G257 PolarHBondContact O-N 3.31Å; S255-G257 PolarHBondContact O-N 2.97Å; G257-R290 PolarHBondContact O-NH2 3.28Å; G257-N310 PolarHBondContact N-OD1 3.01Å
258	G	98.5	Very high	98.8	Very high	17 Å²	17	26 Å²	26	18%	0.175	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.1	175.1	0	0	0	0	0	115.2	N256 N310	N256-G258 PolarHBondContact O-N 3.11Å; N256-G258 VanDerWaalsContact O-N 3.17Å; G258-N310 PolarHBondContact N-OD1 3.41Å
259	L	98.7	Very high	98.7	Very high	74 Å²	74	23.7 Å²	23.7	39%	0.387	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-26.7	-177.4	-57.7	179.8	0	0	0	113	I215 N256 N310	I215-L259 HydrophobicContact CD1-CB 4.19Å; I215-L259 HydrophobicContact CG2-CB 4.36Å; N256-L259 HydrophobicContact CB-CB 4.47Å; N256-L259 PolarHBondContact O-N 2.93Å; L259-N310 HydrophobicContact CD1-CB 3.62Å; L259-N310 HydrophobicContact CG-CB 3.8Å
260	A	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.			trans	-74.8	142.1	-169	0	0	0	0	0	112.2	I215 A217 N256 F263 R290	I215-A260 HydrophobicContact CG2-CB 4.39Å; I215-A260 CarbonylContact O-C 3.57Å; I215-A260 VanDerWaalsContact O-CA 3.28Å; I215-A260 WeakPolarHBondContact O-CA 3.3Å; I215-A260 WeakPolarHBondContact O-CB 3.46Å; A217-A260 HydrophobicContact CB-CB 3.57Å; N256-A260 HydrophobicContact CB-CB 4.45Å; N256-A260 VanDerWaalsContact O-CB 3.29Å; N256-A260 WeakPolarHBondContact O-CB 3.48Å; N256-A260 PolarHBondContact O-N 3.44Å; A260-F263 HydrophobicContact CB-CD1 4.29Å; A260-F263 HydrophobicContact CB-CE1 3.8Å; A260-F263 HydrophobicContact CB-CZ 4.02Å; A260-F263 VanDerWaalsContact O-CZ 3.32Å; A260-F263 WeakPolarHBondContact O-CZ 3.44Å; A260-R290 PolarHBondContact O-NE 3.47Å; A260-R290 PolarHBondContact O-NH2 3.36Å
261	E	98.9	Very high	98.1	Very high	71 Å²	71	25.5 Å²	25.5	33%	0.332	13%	0.127	S	C	.	.	S	Bend	trans	-99.2	-22.4	168.7	-65.6	-52.9	127.7	0	0	111.4	H214 I215 E289 R290	H214-E261 HydrophobicContact CB-CB 4.16Å; I215-E261 PolarHBondContact O-N 3.33Å; E261-E289 CarbonylContact O-C 3.56Å; E261-E289 WeakPolarHBondContact O-CA 3.38Å; E261-R290 PolarHBondContact O-N 3.09Å; E261-R290 IonicContact OE1-NE 3.4Å; E261-R290 WeakPolarHBondContact OE2-CB 3.37Å
262	I	98.9	Very high	97.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.9	-179.6	-53	-62.1	0	0	0	110.1	Y205 L209 H214 I215 A216 A217 I287 E289	Y205-I262 HydrophobicContact CD1-CD1 3.95Å; Y205-I262 HydrophobicContact CE1-CD1 4.1Å; L209-I262 HydrophobicContact CD2-CB 4.16Å; L209-I262 HydrophobicContact CD2-CG1 4.09Å; H214-I262 HydrophobicContact CB-CG1 4.11Å; I215-I262 PolarHBondContact O-N 3.16Å; I215-I262 VanDerWaalsContact O-N 3.17Å; A216-I262 CarbonylContact C-O 3.59Å; A216-I262 WeakPolarHBondContact CA-O 3.11Å; A217-I262 PolarHBondContact N-O 3.48Å; I262-I287 HydrophobicContact CG2-CG2 3.87Å; I262-E289 HydrophobicContact CD1-CB 4.38Å; I262-E289 HydrophobicContact CD1-CG 3.78Å
263	F	98.9	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.1	179.9	-54.1	-92.2	0	0	0	110.7	A217 C219 A260 V265 V288 R290 V295 V314	A217-F263 HydrophobicContact CB-CD1 3.75Å; A217-F263 HydrophobicContact CB-CE1 4.05Å; A217-F263 WeakPolarHBondContact O-CA 3.41Å; C219-F263 VanDerWaalsContact SG-CD1 3.58Å; A260-F263 HydrophobicContact CB-CD1 4.29Å; A260-F263 HydrophobicContact CB-CE1 3.8Å; A260-F263 HydrophobicContact CB-CZ 4.02Å; A260-F263 VanDerWaalsContact O-CZ 3.32Å; A260-F263 WeakPolarHBondContact O-CZ 3.44Å; F263-V265 HydrophobicContact CB-CG2 3.55Å; F263-V265 PolarHBondContact O-N 2.93Å; F263-V288 HydrophobicContact CB-CB 4.31Å; F263-V288 WeakPolarHBondContact CD2-O 3.45Å; F263-V288 PolarHBondContact N-O 3.47Å; F263-V288 PolarHBondContact O-N 3.37Å; F263-R290 HydrophobicContact CE2-CB 4.06Å; F263-V295 HydrophobicContact CD2-CG1 4.44Å; F263-V295 HydrophobicContact CE2-CG1 3.84Å; F263-V295 HydrophobicContact CZ-CG1 4.19Å; F263-V314 HydrophobicContact CE1-CG1 4.13Å; F263-V314 HydrophobicContact CE1-CG2 4.27Å; F263-V314 HydrophobicContact CZ-CG1 4.45Å
264	T	98.9	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	103.4	159.9	-64.4	0	0	0	0	108	G189 A217 C219 F266 F286 L327 I340	G189-T264 WeakPolarHBondContact O-CB 3.49Å; G189-T264 PolarHBondContact O-OG1 3.35Å; A217-T264 PolarHBondContact O-N 3.24Å; C219-T264 WeakPolarHBondContact CB-O 3.49Å; C219-T264 PolarHBondContact N-O 3.3Å; T264-F266 HydrophobicContact CG2-CE2 3.83Å; T264-F266 HydrophobicContact CG2-CZ 3.71Å; T264-F286 CarbonylContact C-O 3.49Å; T264-F286 WeakPolarHBondContact CA-O 3.39Å; T264-L327 HydrophobicContact CG2-CD2 4.07Å; T264-I340 HydrophobicContact CG2-CD1 4.44Å
265	V	98.9	Very high	95.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.2	-174.6	-171.9	0	0	0	0	111.3	C219 L247 F263 A285 F286 V288 F316	C219-V265 HydrophobicContact CB-CB 4.24Å; C219-V265 HydrophobicContact CB-CG1 4.27Å; C219-V265 HydrophobicContact CB-CG2 3.87Å; L247-V265 HydrophobicContact CD1-CG1 4.32Å; L247-V265 HydrophobicContact CD2-CG1 4.08Å; F263-V265 HydrophobicContact CB-CG2 3.55Å; F263-V265 PolarHBondContact O-N 2.93Å; V265-A285 CarbonylContact O-C 3.55Å; V265-A285 WeakPolarHBondContact O-CA 3.36Å; V265-F286 PolarHBondContact N-O 2.85Å; V265-F286 PolarHBondContact O-N 3.4Å; V265-V288 HydrophobicContact CB-CG2 3.88Å; V265-V288 HydrophobicContact CG2-CB 3.82Å; V265-V288 HydrophobicContact CG2-CG2 3.51Å; V265-F316 HydrophobicContact CG1-CE2 4.25Å; V265-F316 HydrophobicContact CG1-CZ 4.18Å; V265-F316 HydrophobicContact CG2-CE1 3.79Å; V265-F316 HydrophobicContact CG2-CE2 4.45Å; V265-F316 HydrophobicContact CG2-CZ 3.6Å
266	F	98.9	Very high	95.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.5	174.7	-58.7	-87.9	0	0	0	110.5	F218 C219 L220 I232 K251 T264 I283 A285 G333 V336 A337 I340	F218-F266 AromaticContact CD2-CE2 3.78Å; F218-F266 HydrophobicContact CD2-CE2 3.78Å; F218-F266 HydrophobicContact CD2-CZ 4.26Å; F218-F266 HydrophobicContact CE1-CE2 4.13Å; F218-F266 HydrophobicContact CE2-CD2 4.4Å; F218-F266 AromaticContact CE2-CE2 3.2Å; F218-F266 HydrophobicContact CE2-CE2 3.2Å; F218-F266 AromaticContact CE2-CZ 3.43Å; F218-F266 HydrophobicContact CE2-CZ 3.43Å; F218-F266 VanDerWaalsContact CE2-CZ 3.43Å; F218-F266 HydrophobicContact CG-CE2 4.47Å; F218-F266 HydrophobicContact CZ-CD2 4.27Å; F218-F266 AromaticContact CZ-CE2 3.39Å; F218-F266 HydrophobicContact CZ-CE2 3.39Å; F218-F266 AromaticContact CZ-CZ 3.81Å; F218-F266 HydrophobicContact CZ-CZ 3.81Å; C219-F266 WeakPolarHBondContact O-CD2 3.36Å; C219-F266 PolarHBondContact O-N 3.3Å; C219-F266 VanDerWaalsContact O-N 3.15Å; L220-F266 HydrophobicContact CB-CD2 3.87Å; L220-F266 HydrophobicContact CB-CE2 4.36Å; L220-F266 HydrophobicContact CD1-CB 3.77Å; L220-F266 HydrophobicContact CD1-CD2 3.83Å; L220-F266 HydrophobicContact CD1-CG 3.8Å; L220-F266 HydrophobicContact CG-CD2 4.41Å; I232-F266 HydrophobicContact CD1-CB 4.06Å; I232-F266 WeakPolarHBondContact CD1-O 3.44Å; K251-F266 WeakPolarHBondContact CE-O 3.14Å; K251-F266 PolarHBondContact NZ-O 3.39Å; T264-F266 HydrophobicContact CG2-CE2 3.83Å; T264-F266 HydrophobicContact CG2-CZ 3.71Å; F266-I283 HydrophobicContact CB-CG2 3.92Å; F266-I283 HydrophobicContact CD1-CG2 4.17Å; F266-A285 HydrophobicContact CD1-CB 3.88Å; F266-A285 HydrophobicContact CE1-CB 3.63Å; F266-A285 HydrophobicContact CZ-CB 4.45Å; F266-G333 WeakPolarHBondContact CE1-O 3.44Å; F266-V336 HydrophobicContact CE1-CB 4.41Å; F266-V336 HydrophobicContact CE1-CG1 4.22Å; F266-A337 HydrophobicContact CD1-CB 4.02Å; F266-A337 HydrophobicContact CE1-CB 3.53Å; F266-A337 HydrophobicContact CE2-CB 4.44Å; F266-A337 HydrophobicContact CZ-CB 3.78Å; F266-I340 HydrophobicContact CZ-CD1 4.28Å
267	A	98.8	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.4	-177.4	0	0	0	0	0	111.7	T234 A236 L247 I283 T284 F286	T234-A267 HydrophobicContact CG2-CB 3.75Å; T234-A267 CarbonylContact O-C 3.49Å; T234-A267 WeakPolarHBondContact O-CA 3.43Å; A236-A267 HydrophobicContact CB-CB 3.91Å; L247-A267 HydrophobicContact CD1-CB 3.47Å; L247-A267 VanDerWaalsContact CD1-CB 3.47Å; A267-I283 CarbonylContact O-C 3.36Å; A267-I283 WeakPolarHBondContact O-CA 3.32Å; A267-T284 PolarHBondContact N-O 3.04Å; A267-T284 PolarHBondContact O-N 2.94Å; A267-F286 HydrophobicContact CB-CD2 4.45Å; A267-F286 HydrophobicContact CB-CE2 4.18Å
268	K	98.5	Very high	94.2	Very high	47 Å²	47	49.4 Å²	49.4	20%	0.204	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.4	173.7	-79.7	-177	177.3	165.1	0	110.6	I232 T234 T235 A236 D281 K282 I283	I232-K268 HydrophobicContact CG1-CG 4.48Å; I232-K268 WeakPolarHBondContact O-CD 3.48Å; I232-K268 WeakPolarHBondContact O-CE 3.41Å; I232-K268 PolarHBondContact O-NZ 3.41Å; T234-K268 PolarHBondContact O-N 2.96Å; T235-K268 CarbonylContact C-O 3.53Å; T235-K268 WeakPolarHBondContact CA-O 3.48Å; A236-K268 PolarHBondContact N-O 3.45Å; K268-D281 HydrophobicContact CB-CB 4.07Å; K268-D281 HydrophobicContact CD-CB 3.88Å; K268-D281 HydrophobicContact CG-CB 4.12Å; K268-K282 WeakPolarHBondContact CA-O 3.31Å; K268-I283 HydrophobicContact CG-CG1 4.41Å
269	T	97.4	Very high	93.8	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.3	171.5	51.2	0	0	0	0	108.9	A236 Y245 M271 K282 T284 F286	A236-T269 HydrophobicContact CB-CG2 3.87Å; A236-T269 WeakPolarHBondContact O-CG2 3.37Å; Y245-T269 HydrophobicContact CD1-CG2 4.22Å; Y245-T269 HydrophobicContact CE1-CG2 3.95Å; T269-M271 PolarHBondContact O-N 2.99Å; T269-K282 PolarHBondContact N-O 2.94Å; T269-K282 PolarHBondContact O-N 3.02Å; T269-K282 PolarHBondContact OG1-O 2.84Å; T269-K282 VanDerWaalsContact OG1-O 3.05Å; T269-T284 HydrophobicContact CG2-CG2 4.4Å; T269-T284 WeakPolarHBondContact CG2-OG1 3.29Å; T269-T284 PolarHBondContact OG1-OG1 2.92Å; T269-F286 HydrophobicContact CG2-CE2 4.13Å; T269-F286 HydrophobicContact CG2-CZ 3.76Å
270	P	94.5	Very high	93.4	Very high	55 Å²	55	55.1 Å²	55.1	36%	0.357	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	127.7	172.9	-21.7	32.7	0	0	0	110.5	L237 M279 D281	L237-P270 HydrophobicContact CD2-CG 3.67Å; P270-M279 HydrophobicContact CB-CE 3.5Å; P270-D281 WeakPolarHBondContact CA-OD1 3.38Å
271	M	90.7	Very high	93.2	Very high	50 Å²	50	59.5 Å²	59.5	25%	0.246	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.8	-179.9	-70.5	-171	66.4	0	0	111.7	T269 D273 M279 K280 K282 V330 G331	T269-M271 PolarHBondContact O-N 2.99Å; M271-D273 PolarHBondContact O-N 3.11Å; M271-M279 CarbonylContact O-C 3.58Å; M271-M279 WeakPolarHBondContact O-CA 3.41Å; M271-K280 PolarHBondContact N-O 3.01Å; M271-K280 PolarHBondContact O-N 2.87Å; M271-K280 VanDerWaalsContact O-O 3.09Å; M271-K282 HydrophobicContact SD-CB 3.94Å; M271-K282 HydrophobicContact SD-CD 3.85Å; M271-K282 HydrophobicContact SD-CG 4.22Å; M271-V330 HydrophobicContact CE-CG1 4.42Å; M271-V330 HydrophobicContact CG-CG1 4.45Å; M271-V330 HydrophobicContact SD-CG1 3.96Å; M271-G331 VanDerWaalsContact SD-CA 3.5Å
272	K	89.3	Confident	93	Very high	146 Å²	146	60.4 Å²	60.4	64%	0.635	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	121.9	171.4	-164.7	173.9	-177.2	176.3	0	109.7	P274 G277 M279	K272-P274 WeakPolarHBondContact O-CD 3.36Å; K272-G277 VanDerWaalsContact CE-O 3.24Å; K272-G277 WeakPolarHBondContact CE-O 3.41Å; K272-G277 WeakPolarHBondContact CG-O 3.46Å; K272-M279 HydrophobicContact CB-SD 3.85Å; K272-M279 HydrophobicContact CG-SD 4.36Å
273	D	84.4	Confident	93	Very high	31 Å²	31	60.9 Å²	60.9	17%	0.166	31%	0.313	C	S	.	.			trans	-63.7	120.5	172.3	-171.8	-46	0	0	0	108.7	M271 K275 T276 G277 E278 K280	M271-D273 PolarHBondContact O-N 3.11Å; D273-K275 PolarHBondContact O-N 3.3Å; D273-K275 WeakPolarHBondContact OD1-CA 3.43Å; D273-K275 WeakPolarHBondContact OD1-CB 3.17Å; D273-K275 PolarHBondContact OD1-N 3.22Å; D273-T276 WeakPolarHBondContact CB-OG1 3.24Å; D273-T276 PolarHBondContact OD1-N 3.29Å; D273-G277 WeakPolarHBondContact O-CA 3.39Å; D273-G277 PolarHBondContact O-N 3.49Å; D273-E278 WeakPolarHBondContact CB-O 3.28Å; D273-E278 PolarHBondContact N-O 3.21Å; D273-K280 IonicContact OD2-NZ 2.67Å; D273-K280 PolarHBondContact OD2-NZ 3.15Å
274	P	83.5	Confident	93	Very high	125 Å²	125	60.9 Å²	60.9	81%	0.812	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.9	-176.6	27.2	-34.3	0	0	0	113.1	K272	K272-P274 WeakPolarHBondContact O-CD 3.36Å
275	K	84.6	Confident	93	Very high	195 Å²	195	60.9 Å²	60.9	85%	0.848	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-43.9	179.3	-63	-177.5	179.4	-179.1	0	112.2	D273	D273-K275 PolarHBondContact O-N 3.3Å; D273-K275 WeakPolarHBondContact OD1-CA 3.43Å; D273-K275 WeakPolarHBondContact OD1-CB 3.17Å; D273-K275 PolarHBondContact OD1-N 3.22Å
276	T	88.8	Confident	93	Very high	79 Å²	79	61 Å²	61	49%	0.485	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-18.2	-174.9	69.1	0	0	0	0	113.3	D273 E278	D273-T276 WeakPolarHBondContact CB-OG1 3.24Å; D273-T276 PolarHBondContact OD1-N 3.29Å; T276-E278 PolarHBondContact O-N 3.18Å; T276-E278 WeakPolarHBondContact OG1-CB 3.32Å; T276-E278 WeakPolarHBondContact OG1-CG 3.21Å; T276-E278 PolarHBondContact OG1-N 3.47Å; T276-E278 PolarHBondContact OG1-OE2 3.37Å
277	G	87.7	Confident	93	Very high	35 Å²	35	61 Å²	61	36%	0.361	31%	0.313	S	S	.	.			trans	74.9	-1.4	-173.9	0	0	0	0	0	114.3	K272 D273	K272-G277 VanDerWaalsContact CE-O 3.24Å; K272-G277 WeakPolarHBondContact CE-O 3.41Å; K272-G277 WeakPolarHBondContact CG-O 3.46Å; D273-G277 WeakPolarHBondContact O-CA 3.39Å; D273-G277 PolarHBondContact O-N 3.49Å
278	E	90.3	Very high	93	Very high	107 Å²	107	61 Å²	61	50%	0.5	31%	0.313	S	S	.	.			trans	-75	145	-179.4	-64.7	173.5	151	0	0	111.7	D273 T276 K280	D273-E278 WeakPolarHBondContact CB-O 3.28Å; D273-E278 PolarHBondContact N-O 3.21Å; T276-E278 PolarHBondContact O-N 3.18Å; T276-E278 WeakPolarHBondContact OG1-CB 3.32Å; T276-E278 WeakPolarHBondContact OG1-CG 3.21Å; T276-E278 PolarHBondContact OG1-N 3.47Å; T276-E278 PolarHBondContact OG1-OE2 3.37Å; E278-K280 VanDerWaalsContact OE2-CE 3.27Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.72Å; E278-K280 PolarHBondContact OE2-NZ 3.3Å
279	M	90.6	Very high	93	Very high	122 Å²	122	60.1 Å²	60.1	60%	0.601	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.5	169.3	-68.9	-59.6	-64.1	0	0	109.9	P270 M271 K272	P270-M279 HydrophobicContact CB-CE 3.5Å; M271-M279 CarbonylContact O-C 3.58Å; M271-M279 WeakPolarHBondContact O-CA 3.41Å; K272-M279 HydrophobicContact CB-SD 3.85Å; K272-M279 HydrophobicContact CG-SD 4.36Å
280	K	91.1	Very high	93	Very high	88 Å²	88	62 Å²	62	38%	0.383	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.6	174.8	-68.1	-179.2	-177.9	160.4	0	109.5	M271 D273 E278	M271-K280 PolarHBondContact N-O 3.01Å; M271-K280 PolarHBondContact O-N 2.87Å; M271-K280 VanDerWaalsContact O-O 3.09Å; D273-K280 IonicContact OD2-NZ 2.67Å; D273-K280 PolarHBondContact OD2-NZ 3.15Å; E278-K280 VanDerWaalsContact OE2-CE 3.27Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.72Å; E278-K280 PolarHBondContact OE2-NZ 3.3Å
281	D	93	Very high	93.2	Very high	93 Å²	93	63.5 Å²	63.5	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.2	172.3	-67.7	-22.6	0	0	0	110	K268 P270	K268-D281 HydrophobicContact CB-CB 4.07Å; K268-D281 HydrophobicContact CD-CB 3.88Å; K268-D281 HydrophobicContact CG-CB 4.12Å; P270-D281 WeakPolarHBondContact CA-OD1 3.38Å
282	K	95.3	Very high	93.6	Very high	89 Å²	89	63.4 Å²	63.4	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	149.2	169.7	-64.7	-169.9	-178.8	179	0	109.6	K268 T269 M271	K268-K282 WeakPolarHBondContact CA-O 3.31Å; T269-K282 PolarHBondContact N-O 2.94Å; T269-K282 PolarHBondContact O-N 3.02Å; T269-K282 PolarHBondContact OG1-O 2.84Å; T269-K282 VanDerWaalsContact OG1-O 3.05Å; M271-K282 HydrophobicContact SD-CB 3.94Å; M271-K282 HydrophobicContact SD-CD 3.85Å; M271-K282 HydrophobicContact SD-CG 4.22Å
283	I	98.2	Very high	94	Very high	14 Å²	14	58.2 Å²	58.2	7%	0.072	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	130.8	177.4	-60.1	176.9	0	0	0	108.7	A229 I232 F266 A267 K268 G331 G332 G333 F334	A229-I283 WeakPolarHBondContact O-CD1 3.44Å; I232-I283 HydrophobicContact CD1-CD1 3.82Å; I232-I283 HydrophobicContact CD1-CG1 3.92Å; I232-I283 HydrophobicContact CD1-CG2 4.04Å; I232-I283 HydrophobicContact CG1-CD1 3.75Å; I232-I283 HydrophobicContact CG1-CG1 4.07Å; F266-I283 HydrophobicContact CB-CG2 3.92Å; F266-I283 HydrophobicContact CD1-CG2 4.17Å; A267-I283 CarbonylContact O-C 3.36Å; A267-I283 WeakPolarHBondContact O-CA 3.32Å; K268-I283 HydrophobicContact CG-CG1 4.41Å; I283-G331 CarbonylContact O-C 3.55Å; I283-G331 VanDerWaalsContact O-CA 3.28Å; I283-G331 WeakPolarHBondContact O-CA 3.45Å; I283-G332 PolarHBondContact O-N 3.31Å; I283-G333 VanDerWaalsContact O-CA 3.28Å; I283-G333 WeakPolarHBondContact O-CA 3.31Å; I283-G333 PolarHBondContact O-N 3.11Å; I283-F334 HydrophobicContact CB-CB 4.47Å; I283-F334 HydrophobicContact CD1-CB 4.46Å; I283-F334 HydrophobicContact CD1-CD2 4.19Å
284	T	98.8	Very high	94.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.1	169.6	-62.3	0	0	0	0	108.7	A267 T269 F286 V326 G331	A267-T284 PolarHBondContact N-O 3.04Å; A267-T284 PolarHBondContact O-N 2.94Å; T269-T284 HydrophobicContact CG2-CG2 4.4Å; T269-T284 WeakPolarHBondContact CG2-OG1 3.29Å; T269-T284 PolarHBondContact OG1-OG1 2.92Å; T284-F286 HydrophobicContact CG2-CD2 4.22Å; T284-F286 HydrophobicContact CG2-CE1 4.05Å; T284-F286 HydrophobicContact CG2-CE2 3.6Å; T284-F286 HydrophobicContact CG2-CZ 3.51Å; T284-V326 HydrophobicContact CG2-CG1 3.86Å; T284-V326 HydrophobicContact CG2-CG2 4.31Å; T284-G331 PolarHBondContact OG1-N 2.77Å
285	A	98.9	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.1	173.7	0	0	0	0	0	109.6	V265 F266 L327 V336	V265-A285 CarbonylContact O-C 3.55Å; V265-A285 WeakPolarHBondContact O-CA 3.36Å; F266-A285 HydrophobicContact CD1-CB 3.88Å; F266-A285 HydrophobicContact CE1-CB 3.63Å; F266-A285 HydrophobicContact CZ-CB 4.45Å; A285-L327 HydrophobicContact CB-CB 4.14Å; A285-L327 PolarHBondContact O-N 3Å; A285-V336 HydrophobicContact CB-CB 4.18Å; A285-V336 HydrophobicContact CB-CG1 3.94Å
286	F	98.9	Very high	96.1	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.4	-178.3	-63.1	-89.4	0	0	0	110.5	A236 Y245 T264 V265 A267 T269 T284 V288 V321 C325 V326	A236-F286 HydrophobicContact CB-CE2 3.66Å; A236-F286 HydrophobicContact CB-CZ 3.63Å; Y245-F286 HydrophobicContact CD1-CE1 4.19Å; Y245-F286 HydrophobicContact CD1-CZ 4.04Å; Y245-F286 AromaticContact CD2-CE1 3.69Å; Y245-F286 HydrophobicContact CD2-CE1 3.69Å; Y245-F286 HydrophobicContact CD2-CZ 4.36Å; Y245-F286 HydrophobicContact CE1-CZ 4.33Å; Y245-F286 HydrophobicContact CE2-CE1 4.06Å; Y245-F286 AromaticContact CG-CE1 3.77Å; Y245-F286 HydrophobicContact CG-CE1 3.77Å; Y245-F286 HydrophobicContact CG-CZ 4.06Å; T264-F286 CarbonylContact C-O 3.49Å; T264-F286 WeakPolarHBondContact CA-O 3.39Å; V265-F286 PolarHBondContact N-O 2.85Å; V265-F286 PolarHBondContact O-N 3.4Å; A267-F286 HydrophobicContact CB-CD2 4.45Å; A267-F286 HydrophobicContact CB-CE2 4.18Å; T269-F286 HydrophobicContact CG2-CE2 4.13Å; T269-F286 HydrophobicContact CG2-CZ 3.76Å; T284-F286 HydrophobicContact CG2-CD2 4.22Å; T284-F286 HydrophobicContact CG2-CE1 4.05Å; T284-F286 HydrophobicContact CG2-CE2 3.6Å; T284-F286 HydrophobicContact CG2-CZ 3.51Å; F286-V288 HydrophobicContact CB-CG2 3.93Å; F286-V321 HydrophobicContact CB-CG1 4.26Å; F286-V321 HydrophobicContact CD1-CG1 3.91Å; F286-V321 HydrophobicContact CG-CG1 4.43Å; F286-C325 CarbonylContact C-O 3.55Å; F286-C325 WeakPolarHBondContact CA-O 3.5Å; F286-V326 HydrophobicContact CD1-CG2 3.97Å; F286-V326 HydrophobicContact CE1-CG2 3.61Å; F286-V326 HydrophobicContact CZ-CG2 4.49Å
287	I	98.9	Very high	96.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.6	160.6	-53.3	167.3	0	0	0	106.7	I193 Q201 Y205 I262 C325 L327	I193-I287 HydrophobicContact CD1-CD1 3.92Å; I193-I287 HydrophobicContact CD1-CG1 4.13Å; I193-I287 HydrophobicContact CD1-CG2 4.23Å; I193-I287 HydrophobicContact CG1-CD1 3.81Å; I193-I287 HydrophobicContact CG1-CG1 4.03Å; Q201-I287 HydrophobicContact CB-CD1 4.11Å; Q201-I287 HydrophobicContact CG-CD1 4.01Å; Y205-I287 HydrophobicContact CD1-CG2 4.39Å; Y205-I287 HydrophobicContact CD2-CD1 3.81Å; Y205-I287 HydrophobicContact CD2-CG2 4.1Å; Y205-I287 HydrophobicContact CE1-CG2 4.03Å; Y205-I287 HydrophobicContact CE2-CB 4.28Å; Y205-I287 HydrophobicContact CE2-CD1 3.65Å; Y205-I287 HydrophobicContact CE2-CG2 3.71Å; Y205-I287 HydrophobicContact CG-CG2 4.43Å; I262-I287 HydrophobicContact CG2-CG2 3.87Å; I287-C325 HydrophobicContact CB-CB 4.43Å; I287-C325 PolarHBondContact N-O 3.28Å; I287-C325 VanDerWaalsContact O-CB 3.29Å; I287-C325 WeakPolarHBondContact O-CB 3.42Å; I287-L327 HydrophobicContact CD1-CD1 4.21Å; I287-L327 HydrophobicContact CG1-CB 4.31Å; I287-L327 HydrophobicContact CG1-CD1 4.36Å; I287-L327 HydrophobicContact CG1-CD2 4.33Å
288	V	98.9	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125	179.8	-177.7	0	0	0	0	108.3	L247 F263 V265 F286 F292 V295 F316 V319 V321	L247-V288 HydrophobicContact CD2-CG2 3.97Å; F263-V288 HydrophobicContact CB-CB 4.31Å; F263-V288 WeakPolarHBondContact CD2-O 3.45Å; F263-V288 PolarHBondContact N-O 3.47Å; F263-V288 PolarHBondContact O-N 3.37Å; V265-V288 HydrophobicContact CB-CG2 3.88Å; V265-V288 HydrophobicContact CG2-CB 3.82Å; V265-V288 HydrophobicContact CG2-CG2 3.51Å; F286-V288 HydrophobicContact CB-CG2 3.93Å; V288-F292 HydrophobicContact CG1-CD2 4.27Å; V288-V295 HydrophobicContact CG1-CG2 4.13Å; V288-F316 HydrophobicContact CG1-CD1 4.43Å; V288-F316 HydrophobicContact CG1-CE1 4.12Å; V288-V319 HydrophobicContact CG1-CG1 4.04Å; V288-V321 HydrophobicContact CG1-CG2 4.36Å; V288-V321 HydrophobicContact CG2-CG1 4.31Å; V288-V321 HydrophobicContact CG2-CG2 3.87Å
289	E	98.9	Very high	97.5	Very high	30 Å²	30	46.6 Å²	46.6	14%	0.14	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.7	170.7	-57.1	-179.2	-149	0	0	109.3	K204 Y205 E261 I262 S291 F292	K204-E289 WeakPolarHBondContact CE-OE1 3.22Å; K204-E289 IonicContact NZ-OE1 2.71Å; K204-E289 PolarHBondContact NZ-OE1 3.07Å; Y205-E289 HydrophobicContact CE1-CG 3.97Å; Y205-E289 WeakPolarHBondContact CE1-OE1 3.1Å; Y205-E289 PolarHBondContact OH-OE1 3.25Å; E261-E289 CarbonylContact O-C 3.56Å; E261-E289 WeakPolarHBondContact O-CA 3.38Å; I262-E289 HydrophobicContact CD1-CB 4.38Å; I262-E289 HydrophobicContact CD1-CG 3.78Å; E289-S291 VanDerWaalsContact CB-OG 3.27Å; E289-S291 WeakPolarHBondContact CB-OG 3.37Å; E289-S291 PolarHBondContact O-N 2.93Å; E289-S291 PolarHBondContact OE2-OG 3.42Å; E289-F292 HydrophobicContact CB-CD1 3.8Å; E289-F292 HydrophobicContact CB-CD2 4.16Å; E289-F292 HydrophobicContact CB-CE1 3.69Å; E289-F292 HydrophobicContact CB-CE2 4.05Å; E289-F292 HydrophobicContact CB-CG 4.04Å; E289-F292 HydrophobicContact CB-CZ 3.82Å; E289-F292 VanDerWaalsContact CD-CE1 3.41Å; E289-F292 HydrophobicContact CG-CD1 4.3Å; E289-F292 HydrophobicContact CG-CE1 3.66Å; E289-F292 HydrophobicContact CG-CE2 4.04Å; E289-F292 HydrophobicContact CG-CZ 3.5Å; E289-F292 WeakPolarHBondContact O-CB 3.19Å; E289-F292 PolarHBondContact O-N 3.41Å; E289-F292 VanDerWaalsContact O-N 3.14Å
290	R	98.7	Very high	97.8	Very high	42 Å²	42	44.6 Å²	44.6	16%	0.158	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-55.4	-36.4	171.3	-173.4	177.4	-68.4	-75.9	10.2	111.4	G257 A260 E261 F263 F292 G293 V295	G257-R290 PolarHBondContact O-NH2 3.28Å; A260-R290 PolarHBondContact O-NE 3.47Å; A260-R290 PolarHBondContact O-NH2 3.36Å; E261-R290 PolarHBondContact O-N 3.09Å; E261-R290 IonicContact OE1-NE 3.4Å; E261-R290 WeakPolarHBondContact OE2-CB 3.37Å; F263-R290 HydrophobicContact CE2-CB 4.06Å; R290-F292 PolarHBondContact O-N 3.04Å; R290-G293 PolarHBondContact O-N 2.82Å; R290-V295 HydrophobicContact CG-CB 4.45Å; R290-V295 HydrophobicContact CG-CG1 4.48Å
291	S	98.6	Very high	98.2	Very high	87 Å²	87	43.7 Å²	43.7	61%	0.608	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.5	-15.9	-179.9	66.7	0	0	0	0	114.4	E289 G293	E289-S291 VanDerWaalsContact CB-OG 3.27Å; E289-S291 WeakPolarHBondContact CB-OG 3.37Å; E289-S291 PolarHBondContact O-N 2.93Å; E289-S291 PolarHBondContact OE2-OG 3.42Å; S291-G293 PolarHBondContact O-N 2.89Å; S291-G293 VanDerWaalsContact O-N 3.11Å
292	F	98.6	Very high	98.5	Very high	48 Å²	48	46.8 Å²	46.8	21%	0.211	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-66.4	-10.2	177.7	-66.3	-14.1	0	0	0	113.4	V288 E289 R290 V319 V321 P322	V288-F292 HydrophobicContact CG1-CD2 4.27Å; E289-F292 HydrophobicContact CB-CD1 3.8Å; E289-F292 HydrophobicContact CB-CD2 4.16Å; E289-F292 HydrophobicContact CB-CE1 3.69Å; E289-F292 HydrophobicContact CB-CE2 4.05Å; E289-F292 HydrophobicContact CB-CG 4.04Å; E289-F292 HydrophobicContact CB-CZ 3.82Å; E289-F292 VanDerWaalsContact CD-CE1 3.41Å; E289-F292 HydrophobicContact CG-CD1 4.3Å; E289-F292 HydrophobicContact CG-CE1 3.66Å; E289-F292 HydrophobicContact CG-CE2 4.04Å; E289-F292 HydrophobicContact CG-CZ 3.5Å; E289-F292 WeakPolarHBondContact O-CB 3.19Å; E289-F292 PolarHBondContact O-N 3.41Å; E289-F292 VanDerWaalsContact O-N 3.14Å; R290-F292 PolarHBondContact O-N 3.04Å; F292-V319 HydrophobicContact CB-CG1 4.05Å; F292-V321 HydrophobicContact CE2-CG1 4.43Å; F292-P322 HydrophobicContact CE1-CG 4.48Å; F292-P322 VanDerWaalsContact CE2-CD 3.49Å; F292-P322 HydrophobicContact CE2-CG 4.39Å; F292-P322 HydrophobicContact CZ-CG 4.1Å
293	G	97.4	Very high	98.6	Very high	37 Å²	37	45.1 Å²	45.1	38%	0.381	26%	0.259	S	S	.	.	S	Bend	trans	80.6	154.4	-179.1	0	0	0	0	0	112	R290 S291 V295 V319	R290-G293 PolarHBondContact O-N 2.82Å; S291-G293 PolarHBondContact O-N 2.89Å; S291-G293 VanDerWaalsContact O-N 3.11Å; G293-V295 PolarHBondContact O-N 3.2Å; G293-V319 WeakPolarHBondContact O-CG2 3.32Å
294	G	98.3	Very high	98.7	Very high	36 Å²	36	49.7 Å²	49.7	37%	0.371	28%	0.281	S	S	.	.	S	Bend	trans	73.9	7.7	-176.5	0	0	0	0	0	114.9	F316 E317 V319	G294-F316 WeakPolarHBondContact O-CA 3.48Å; G294-E317 WeakPolarHBondContact CA-O 3.4Å; G294-E317 PolarHBondContact O-N 3.46Å; G294-V319 VanDerWaalsContact O-CG2 3.31Å; G294-V319 WeakPolarHBondContact O-CG2 3.49Å
295	V	98.8	Very high	98.7	Very high	13 Å²	13	50 Å²	50	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.4	176.7	-173.6	0	0	0	0	109.8	F263 V288 R290 G293 V314 Y315 F316 V319	F263-V295 HydrophobicContact CD2-CG1 4.44Å; F263-V295 HydrophobicContact CE2-CG1 3.84Å; F263-V295 HydrophobicContact CZ-CG1 4.19Å; V288-V295 HydrophobicContact CG1-CG2 4.13Å; R290-V295 HydrophobicContact CG-CB 4.45Å; R290-V295 HydrophobicContact CG-CG1 4.48Å; G293-V295 PolarHBondContact O-N 3.2Å; V295-V314 HydrophobicContact CG1-CG1 4.21Å; V295-Y315 WeakPolarHBondContact CA-O 3.42Å; V295-F316 HydrophobicContact CG1-CD1 4.35Å; V295-F316 HydrophobicContact CG1-CE1 4.04Å; V295-F316 HydrophobicContact CG2-CD1 4.06Å; V295-F316 HydrophobicContact CG2-CE1 4.29Å; V295-V319 HydrophobicContact CG2-CG1 3.9Å; V295-V319 HydrophobicContact CG2-CG2 3.82Å
296	T	98.8	Very high	98.7	Very high	79 Å²	79	50.4 Å²	50.4	49%	0.485	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	172.2	177	62.2	0	0	0	0	110.9	V314 Y315	T296-V314 WeakPolarHBondContact O-CA 3.29Å; T296-V314 WeakPolarHBondContact O-CG1 3.22Å; T296-Y315 PolarHBondContact N-O 3.44Å; T296-Y315 PolarHBondContact O-N 2.91Å
297	H	98.8	Very high	98.7	Very high	85 Å²	85	52.9 Å²	52.9	39%	0.394	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156	179	66	82.3	0	0	0	111.9	E313	H297-E313 CarbonylContact C-O 3.46Å; H297-E313 WeakPolarHBondContact CA-O 3.37Å; H297-E313 VanDerWaalsContact CB-O 3.24Å; H297-E313 WeakPolarHBondContact CB-O 3.48Å
298	G	98.6	Very high	98.7	Very high	8 Å²	8	53.2 Å²	53.2	8%	0.082	30%	0.3	C	S	.	.			trans	-75.8	174.6	171.8	0	0	0	0	0	112.8	E313	G298-E313 PolarHBondContact N-O 3.24Å
299	P	98.6	Very high	98.7	Very high	107 Å²	107	53.2 Å²	53.2	70%	0.695	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-64.9	158.8	171	30.2	-35.2	0	0	0	111.3	E301	P299-E301 PolarHBondContact O-N 3.11Å
300	P	98.6	Very high	98.7	Very high	80 Å²	80	52.5 Å²	52.5	52%	0.519	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-59.2	130.3	172	-22.9	33.5	0	0	0	112.5	T311	P300-T311 CarbonylContact C-O 3.37Å; P300-T311 WeakPolarHBondContact CA-O 3.16Å
301	E	98.8	Very high	98.7	Very high	68 Å²	68	51.1 Å²	51.1	32%	0.318	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-71	135.3	-179.4	-66.4	-77.5	-159.3	0	0	112.4	P299 T311	P299-E301 PolarHBondContact O-N 3.11Å; E301-T311 HydrophobicContact CB-CG2 4.34Å; E301-T311 HydrophobicContact CG-CG2 4.31Å; E301-T311 WeakPolarHBondContact CG-O 3.42Å; E301-T311 PolarHBondContact N-O 3.48Å
302	K	98.8	Very high	98.7	Very high	158 Å²	158	47 Å²	47	69%	0.687	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-77.7	125.9	170.7	-63.3	-59.6	-174.6	-178.1	0	109.8	E130	E130-K302 IonicContact OE1-NZ 3.03Å; E130-K302 PolarHBondContact OE1-NZ 3.21Å; E130-K302 WeakPolarHBondContact OE2-CD 3.49Å; E130-K302 WeakPolarHBondContact OE2-CE 3.37Å; E130-K302 IonicContact OE2-NZ 3.66Å; E130-K302 PolarHBondContact OE2-NZ 3.27Å
303	K	98.8	Very high	98.7	Very high	54 Å²	54	47 Å²	47	24%	0.235	27%	0.265	C	S	.	.			trans	-143.4	163.7	-173.1	53.6	177.9	179.5	-73.4	0	112.8	G305 I306 K307 S309 T311	K303-G305 WeakPolarHBondContact CD-O 3.4Å; K303-G305 WeakPolarHBondContact CG-O 3.47Å; K303-I306 HydrophobicContact CD-CG1 4.3Å; K303-I306 WeakPolarHBondContact CE-O 3.21Å; K303-K307 WeakPolarHBondContact O-CE 3.44Å; K303-S309 WeakPolarHBondContact CE-O 3.34Å; K303-S309 PolarHBondContact NZ-O 2.96Å; K303-T311 WeakPolarHBondContact CE-OG1 3.39Å; K303-T311 PolarHBondContact NZ-OG1 3.36Å; K303-T311 VanDerWaalsContact NZ-OG1 3.09Å
304	M	98.8	Very high	98.8	Very high	110 Å²	110	45.2 Å²	45.2	54%	0.542	25%	0.247	S	C	.	.	S	Bend	trans	-58.9	-50.8	-175.7	-179	-179.2	-176.3	0	0	112.8	K307 R457 R460	M304-K307 WeakPolarHBondContact O-CE 3.36Å; M304-R457 HydrophobicContact CE-CG 4.14Å; M304-R457 HydrophobicContact CG-CB 4.07Å; M304-R457 HydrophobicContact CG-CG 4.1Å; M304-R457 WeakPolarHBondContact O-CD 3.32Å; M304-R457 PolarHBondContact O-NH1 2.64Å; M304-R457 VanDerWaalsContact O-NH1 3.14Å; M304-R460 HydrophobicContact SD-CB 3.96Å; M304-R460 HydrophobicContact SD-CG 4.11Å
305	G	98.8	Very high	98.8	Very high	6 Å²	6	47.4 Å²	47.4	6%	0.062	25%	0.245	C	C	.	.	S	Bend	trans	-145.8	-170.5	-176.9	0	0	0	0	0	111	K303 K307 D458	K303-G305 WeakPolarHBondContact CD-O 3.4Å; K303-G305 WeakPolarHBondContact CG-O 3.47Å; G305-K307 PolarHBondContact O-N 2.93Å; G305-K307 VanDerWaalsContact O-N 3.12Å; G305-D458 WeakPolarHBondContact CA-OD1 3.42Å
306	I	98.8	Very high	98.8	Very high	9 Å²	9	47 Å²	47	5%	0.046	24%	0.242	C	C	.	.			trans	43.2	39.2	-166.2	56.4	164.4	0	0	0	111.1	L176 I180 K303 A308 S309 D458 I461 F462	L176-I306 HydrophobicContact CB-CG2 4.08Å; I180-I306 HydrophobicContact CB-CD1 4.42Å; I180-I306 HydrophobicContact CG1-CD1 4.04Å; I180-I306 HydrophobicContact CG1-CG2 4.18Å; I180-I306 HydrophobicContact CG2-CD1 4.22Å; K303-I306 HydrophobicContact CD-CG1 4.3Å; K303-I306 WeakPolarHBondContact CE-O 3.21Å; I306-A308 PolarHBondContact O-N 3.41Å; I306-S309 WeakPolarHBondContact O-CB 3.48Å; I306-S309 PolarHBondContact O-N 2.97Å; I306-D458 HydrophobicContact CG2-CB 3.81Å; I306-D458 PolarHBondContact N-OD1 3.07Å; I306-I461 HydrophobicContact CD1-CG2 3.69Å; I306-I461 HydrophobicContact CG1-CG2 4.18Å; I306-F462 HydrophobicContact CG2-CE2 4.26Å
307	K	98.9	Very high	98.8	Very high	54 Å²	54	50.1 Å²	50.1	24%	0.235	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.7	-167.7	-68	-171.1	-176.1	173.4	0	112.6	D127 E130 K303 M304 G305 S309	D127-K307 VanDerWaalsContact OD1-CD 3.32Å; D127-K307 WeakPolarHBondContact OD1-CD 3.31Å; D127-K307 WeakPolarHBondContact OD1-CG 3.42Å; E130-K307 CarbonylContact C-O 3.44Å; E130-K307 WeakPolarHBondContact CA-O 3.43Å; E130-K307 HydrophobicContact CB-CB 4.38Å; E130-K307 HydrophobicContact CG-CB 4.14Å; E130-K307 HydrophobicContact CG-CD 4.21Å; K303-K307 WeakPolarHBondContact O-CE 3.44Å; M304-K307 WeakPolarHBondContact O-CE 3.36Å; G305-K307 PolarHBondContact O-N 2.93Å; G305-K307 VanDerWaalsContact O-N 3.12Å; K307-S309 PolarHBondContact O-N 3.04Å
308	A	98.8	Very high	98.8	Very high	6 Å²	6	51 Å²	51	5%	0.05	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28	176.1	0	0	0	0	0	114.1	N126 K131 V132 I306 N310	N126-A308 HydrophobicContact CB-CB 3.73Å; K131-A308 WeakPolarHBondContact CA-O 3.35Å; V132-A308 HydrophobicContact CG2-CB 4.25Å; I306-A308 PolarHBondContact O-N 3.41Å; A308-N310 PolarHBondContact O-N 3.04Å
309	S	98.9	Very high	98.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-73.3	126	176.7	179.5	0	0	0	0	109.9	I180 T181 K303 I306 K307 T311	I180-S309 WeakPolarHBondContact CG2-OG 3.36Å; T181-S309 WeakPolarHBondContact OG1-CA 3.41Å; K303-S309 WeakPolarHBondContact CE-O 3.34Å; K303-S309 PolarHBondContact NZ-O 2.96Å; I306-S309 WeakPolarHBondContact O-CB 3.48Å; I306-S309 PolarHBondContact O-N 2.97Å; K307-S309 PolarHBondContact O-N 3.04Å; S309-T311 PolarHBondContact O-N 2.91Å
310	N	98.9	Very high	98.8	Very high	16 Å²	16	53.6 Å²	53.6	9%	0.086	25%	0.252	C	S	.	.			trans	-62.4	139.5	171.5	175	-93.6	0	0	0	110.4	S255 N256 G257 G258 L259 A308	S255-N310 VanDerWaalsContact CA-O 3.31Å; S255-N310 WeakPolarHBondContact CA-O 3.45Å; N256-N310 VanDerWaalsContact C-OD1 3.23Å; N256-N310 WeakPolarHBondContact CA-OD1 3.45Å; N256-N310 PolarHBondContact N-O 3.43Å; N256-N310 VanDerWaalsContact N-O 3.08Å; G257-N310 PolarHBondContact N-OD1 3.01Å; G258-N310 PolarHBondContact N-OD1 3.41Å; L259-N310 HydrophobicContact CD1-CB 3.62Å; L259-N310 HydrophobicContact CG-CB 3.8Å; A308-N310 PolarHBondContact O-N 3.04Å
311	T	98.9	Very high	98.8	Very high	13 Å²	13	49.8 Å²	49.8	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	121	173.9	-49.6	0	0	0	0	107	W253 I254 P300 E301 K303 S309	W253-T311 HydrophobicContact CB-CG2 3.97Å; I254-T311 WeakPolarHBondContact O-CA 3.39Å; P300-T311 CarbonylContact C-O 3.37Å; P300-T311 WeakPolarHBondContact CA-O 3.16Å; E301-T311 HydrophobicContact CB-CG2 4.34Å; E301-T311 HydrophobicContact CG-CG2 4.31Å; E301-T311 WeakPolarHBondContact CG-O 3.42Å; E301-T311 PolarHBondContact N-O 3.48Å; K303-T311 WeakPolarHBondContact CE-OG1 3.39Å; K303-T311 PolarHBondContact NZ-OG1 3.36Å; K303-T311 VanDerWaalsContact NZ-OG1 3.09Å; S309-T311 PolarHBondContact O-N 2.91Å
312	A	98.8	Very high	98.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	158.9	-176.7	0	0	0	0	0	111.4	I254	I254-A312 WeakPolarHBondContact CB-O 3.39Å; I254-A312 PolarHBondContact N-O 3.04Å; I254-A312 PolarHBondContact O-N 3.35Å
313	E	98.9	Very high	98.8	Very high	48 Å²	48	42.5 Å²	42.5	22%	0.224	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	149.3	156.8	-68.1	-169.5	98.7	0	0	110.3	K251 I252 H297 G298 Y315	K251-E313 CarbonylContact O-C 3.57Å; K251-E313 WeakPolarHBondContact O-CA 3.43Å; I252-E313 HydrophobicContact CB-CG 4.35Å; I252-E313 HydrophobicContact CD1-CG 4.48Å; I252-E313 HydrophobicContact CG1-CG 3.94Å; H297-E313 CarbonylContact C-O 3.46Å; H297-E313 WeakPolarHBondContact CA-O 3.37Å; H297-E313 VanDerWaalsContact CB-O 3.24Å; H297-E313 WeakPolarHBondContact CB-O 3.48Å; G298-E313 PolarHBondContact N-O 3.24Å; E313-Y315 HydrophobicContact CB-CE1 4.08Å; E313-Y315 HydrophobicContact CB-CE2 4.19Å; E313-Y315 WeakPolarHBondContact CB-OH 3.38Å; E313-Y315 VanDerWaalsContact CD-OH 3.3Å; E313-Y315 PolarHBondContact OE2-OH 3.37Å
314	V	98.9	Very high	98.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.6	173.5	-174.6	0	0	0	0	108.3	S250 K251 I254 F263 V295 T296 F316	S250-V314 CarbonylContact C-O 3.27Å; S250-V314 WeakPolarHBondContact CA-O 3.41Å; K251-V314 HydrophobicContact CB-CB 4.5Å; K251-V314 PolarHBondContact N-O 3.44Å; K251-V314 PolarHBondContact O-N 2.98Å; I254-V314 HydrophobicContact CB-CG2 3.92Å; I254-V314 HydrophobicContact CG1-CG2 4.06Å; I254-V314 HydrophobicContact CG2-CG2 4.12Å; F263-V314 HydrophobicContact CE1-CG1 4.13Å; F263-V314 HydrophobicContact CE1-CG2 4.27Å; F263-V314 HydrophobicContact CZ-CG1 4.45Å; V295-V314 HydrophobicContact CG1-CG1 4.21Å; T296-V314 WeakPolarHBondContact O-CA 3.29Å; T296-V314 WeakPolarHBondContact O-CG1 3.22Å; V314-F316 HydrophobicContact CB-CE2 4.21Å; V314-F316 HydrophobicContact CB-CZ 4.36Å; V314-F316 HydrophobicContact CG1-CE1 4.17Å; V314-F316 HydrophobicContact CG1-CE2 3.74Å; V314-F316 HydrophobicContact CG1-CZ 3.52Å
315	Y	98.9	Very high	98.7	Very high	81 Å²	81	40.2 Å²	40.2	32%	0.318	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	137.9	-177.6	-46	-78.3	0	0	0	109.9	V295 T296 E313	V295-Y315 WeakPolarHBondContact CA-O 3.42Å; T296-Y315 PolarHBondContact N-O 3.44Å; T296-Y315 PolarHBondContact O-N 2.91Å; E313-Y315 HydrophobicContact CB-CE1 4.08Å; E313-Y315 HydrophobicContact CB-CE2 4.19Å; E313-Y315 WeakPolarHBondContact CB-OH 3.38Å; E313-Y315 VanDerWaalsContact CD-OH 3.3Å; E313-Y315 PolarHBondContact OE2-OH 3.37Å
316	F	98.9	Very high	98.7	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	111.6	177.1	-56.1	-87.5	0	0	0	107.5	L247 N248 G249 K251 V265 V288 G294 V295 V314 V319	L247-F316 HydrophobicContact CD2-CB 4.04Å; L247-F316 HydrophobicContact CD2-CD1 3.55Å; L247-F316 HydrophobicContact CD2-CE1 4.17Å; L247-F316 HydrophobicContact CD2-CG 3.81Å; L247-F316 HydrophobicContact CG-CB 4.04Å; L247-F316 HydrophobicContact CG-CD1 4.47Å; L247-F316 HydrophobicContact CG-CG 4.29Å; N248-F316 WeakPolarHBondContact CA-O 3.47Å; G249-F316 PolarHBondContact N-O 3.33Å; G249-F316 PolarHBondContact O-N 2.69Å; K251-F316 HydrophobicContact CB-CE2 4.47Å; K251-F316 HydrophobicContact CG-CD2 4.44Å; K251-F316 HydrophobicContact CG-CE2 3.74Å; V265-F316 HydrophobicContact CG1-CE2 4.25Å; V265-F316 HydrophobicContact CG1-CZ 4.18Å; V265-F316 HydrophobicContact CG2-CE1 3.79Å; V265-F316 HydrophobicContact CG2-CE2 4.45Å; V265-F316 HydrophobicContact CG2-CZ 3.6Å; V288-F316 HydrophobicContact CG1-CD1 4.43Å; V288-F316 HydrophobicContact CG1-CE1 4.12Å; G294-F316 WeakPolarHBondContact O-CA 3.48Å; V295-F316 HydrophobicContact CG1-CD1 4.35Å; V295-F316 HydrophobicContact CG1-CE1 4.04Å; V295-F316 HydrophobicContact CG2-CD1 4.06Å; V295-F316 HydrophobicContact CG2-CE1 4.29Å; V314-F316 HydrophobicContact CB-CE2 4.21Å; V314-F316 HydrophobicContact CB-CZ 4.36Å; V314-F316 HydrophobicContact CG1-CE1 4.17Å; V314-F316 HydrophobicContact CG1-CE2 3.74Å; V314-F316 HydrophobicContact CG1-CZ 3.52Å; F316-V319 HydrophobicContact CB-CG2 3.84Å; F316-V319 HydrophobicContact CD1-CG2 4.14Å
317	E	98.8	Very high	98.7	Very high	145 Å²	145	40.3 Å²	40.3	68%	0.678	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	110	179.6	-172.9	172.2	-166.5	0	0	109.5	G294 V319	G294-E317 WeakPolarHBondContact CA-O 3.4Å; G294-E317 PolarHBondContact O-N 3.46Å; E317-V319 PolarHBondContact O-N 3.21Å; E317-V319 VanDerWaalsContact O-N 3.09Å
318	D	98.5	Very high	98.6	Very high	103 Å²	103	39.5 Å²	39.5	55%	0.551	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	49	35.7	-178.2	-68.4	-35.4	0	0	0	115.1	T246 L247 N248 R320	T246-D318 HydrophobicContact CG2-CB 4.2Å; L247-D318 PolarHBondContact O-N 2.91Å; N248-D318 PolarHBondContact ND2-OD1 2.95Å; N248-D318 PolarHBondContact OD1-N 3.48Å; D318-R320 PolarHBondContact O-N 3.47Å
319	V	98.9	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	120.6	-177.9	-176.4	0	0	0	0	109.5	Y245 T246 L247 V288 F292 G293 G294 V295 F316 E317 V321	Y245-V319 VanDerWaalsContact O-O 3.13Å; T246-V319 WeakPolarHBondContact CA-O 3.33Å; L247-V319 HydrophobicContact CB-CB 4.2Å; L247-V319 PolarHBondContact N-O 3.34Å; L247-V319 PolarHBondContact O-N 2.78Å; L247-V319 VanDerWaalsContact O-N 3.14Å; V288-V319 HydrophobicContact CG1-CG1 4.04Å; F292-V319 HydrophobicContact CB-CG1 4.05Å; G293-V319 WeakPolarHBondContact O-CG2 3.32Å; G294-V319 VanDerWaalsContact O-CG2 3.31Å; G294-V319 WeakPolarHBondContact O-CG2 3.49Å; V295-V319 HydrophobicContact CG2-CG1 3.9Å; V295-V319 HydrophobicContact CG2-CG2 3.82Å; F316-V319 HydrophobicContact CB-CG2 3.84Å; F316-V319 HydrophobicContact CD1-CG2 4.14Å; E317-V319 PolarHBondContact O-N 3.21Å; E317-V319 VanDerWaalsContact O-N 3.09Å; V319-V321 HydrophobicContact CG1-CG2 3.98Å; V319-V321 PolarHBondContact O-N 3.44Å
320	R	98.6	Very high	98.4	Very high	169 Å²	169	49.5 Å²	49.5	64%	0.638	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	95.3	178.3	-66.5	-174.6	-179.5	-177	0.9	110.4	F244 Y245 D318 P322	F244-R320 HydrophobicContact CD2-CB 4.1Å; F244-R320 HydrophobicContact CD2-CG 4.03Å; F244-R320 HydrophobicContact CE2-CG 4Å; Y245-R320 WeakPolarHBondContact O-CA 3.38Å; D318-R320 PolarHBondContact O-N 3.47Å; R320-P322 WeakPolarHBondContact O-CD 3.26Å
321	V	98.8	Very high	98.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.2	179.1	-174.4	0	0	0	0	109.6	F244 Y245 L247 F286 V288 F292 V319 C325	F244-V321 CarbonylContact C-O 3.58Å; F244-V321 WeakPolarHBondContact CA-O 3.45Å; F244-V321 WeakPolarHBondContact CB-O 3.47Å; Y245-V321 PolarHBondContact N-O 3.31Å; Y245-V321 PolarHBondContact O-N 3.28Å; L247-V321 HydrophobicContact CB-CG2 4.03Å; L247-V321 HydrophobicContact CD2-CG2 4.13Å; F286-V321 HydrophobicContact CB-CG1 4.26Å; F286-V321 HydrophobicContact CD1-CG1 3.91Å; F286-V321 HydrophobicContact CG-CG1 4.43Å; V288-V321 HydrophobicContact CG1-CG2 4.36Å; V288-V321 HydrophobicContact CG2-CG1 4.31Å; V288-V321 HydrophobicContact CG2-CG2 3.87Å; F292-V321 HydrophobicContact CE2-CG1 4.43Å; V319-V321 HydrophobicContact CG1-CG2 3.98Å; V319-V321 PolarHBondContact O-N 3.44Å; V321-C325 HydrophobicContact CG1-CB 3.89Å
322	P	98.6	Very high	98.1	Very high	40 Å²	40	50 Å²	50	26%	0.26	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	144.3	176	-28.8	38.3	0	0	0	112.9	F292 R320 D324 C325	F292-P322 HydrophobicContact CE1-CG 4.48Å; F292-P322 VanDerWaalsContact CE2-CD 3.49Å; F292-P322 HydrophobicContact CE2-CG 4.39Å; F292-P322 HydrophobicContact CZ-CG 4.1Å; R320-P322 WeakPolarHBondContact O-CD 3.26Å; P322-D324 WeakPolarHBondContact CB-OD1 3.3Å; P322-D324 PolarHBondContact O-N 2.91Å; P322-C325 VanDerWaalsContact O-CB 3.28Å; P322-C325 WeakPolarHBondContact O-CB 3.33Å; P322-C325 PolarHBondContact O-N 3.27Å
323	A	98	Very high	98	Very high	33 Å²	33	50 Å²	50	27%	0.273	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-65.4	-27	-177.2	0	0	0	0	0	113	G242 K243 Y245 C325 V326	G242-A323 WeakPolarHBondContact O-CB 3.45Å; K243-A323 WeakPolarHBondContact O-CB 3.45Å; K243-A323 PolarHBondContact O-N 3.4Å; Y245-A323 HydrophobicContact CE2-CB 4.26Å; A323-C325 PolarHBondContact O-N 3.45Å; A323-V326 WeakPolarHBondContact O-CG2 3.39Å; A323-V326 PolarHBondContact O-N 3.43Å
324	D	97.6	Very high	97.8	Very high	112 Å²	112	50.5 Å²	50.5	60%	0.599	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-74.5	-4.6	173.6	68.1	-12.4	0	0	0	113.4	Q201 P322	Q201-D324 PolarHBondContact NE2-O 2.99Å; P322-D324 WeakPolarHBondContact CB-OD1 3.3Å; P322-D324 PolarHBondContact O-N 2.91Å
325	C	98.5	Very high	97.6	Very high	3 Å²	3	54 Å²	54	2%	0.02	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-92.1	3.7	172.3	-65.7	0	0	0	0	113	Y205 F286 I287 V321 P322 A323 L327	Y205-C325 PolarHBondContact OH-SG 3.09Å; Y205-C325 VanDerWaalsContact OH-SG 3.38Å; F286-C325 CarbonylContact C-O 3.55Å; F286-C325 WeakPolarHBondContact CA-O 3.5Å; I287-C325 HydrophobicContact CB-CB 4.43Å; I287-C325 PolarHBondContact N-O 3.28Å; I287-C325 VanDerWaalsContact O-CB 3.29Å; I287-C325 WeakPolarHBondContact O-CB 3.42Å; V321-C325 HydrophobicContact CG1-CB 3.89Å; P322-C325 VanDerWaalsContact O-CB 3.28Å; P322-C325 WeakPolarHBondContact O-CB 3.33Å; P322-C325 PolarHBondContact O-N 3.27Å; A323-C325 PolarHBondContact O-N 3.45Å; C325-L327 PolarHBondContact O-N 3.44Å
326	V	98.8	Very high	97.5	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.103	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-61.9	129.8	164.9	172.4	0	0	0	0	109.2	Q201 Y245 T284 F286 A323 V330	Q201-V326 PolarHBondContact NE2-O 3.14Å; Y245-V326 HydrophobicContact CD2-CG2 4.45Å; Y245-V326 HydrophobicContact CE2-CG2 3.8Å; T284-V326 HydrophobicContact CG2-CG1 3.86Å; T284-V326 HydrophobicContact CG2-CG2 4.31Å; F286-V326 HydrophobicContact CD1-CG2 3.97Å; F286-V326 HydrophobicContact CE1-CG2 3.61Å; F286-V326 HydrophobicContact CZ-CG2 4.49Å; A323-V326 WeakPolarHBondContact O-CG2 3.39Å; A323-V326 PolarHBondContact O-N 3.43Å; V326-V330 HydrophobicContact CG1-CG2 4.07Å; V326-V330 HydrophobicContact CG2-CG2 4.36Å
327	L	98.4	Very high	97.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.			trans	-103.5	109.8	-177.9	-174	60.3	0	0	0	110.5	F196 T264 A285 I287 C325	F196-L327 HydrophobicContact CB-CD1 4.18Å; F196-L327 HydrophobicContact CB-CG 4.34Å; T264-L327 HydrophobicContact CG2-CD2 4.07Å; A285-L327 HydrophobicContact CB-CB 4.14Å; A285-L327 PolarHBondContact O-N 3Å; I287-L327 HydrophobicContact CD1-CD1 4.21Å; I287-L327 HydrophobicContact CG1-CB 4.31Å; I287-L327 HydrophobicContact CG1-CD1 4.36Å; I287-L327 HydrophobicContact CG1-CD2 4.33Å; C325-L327 PolarHBondContact O-N 3.44Å
328	G	97.5	Very high	97.2	Very high	37 Å²	37	46 Å²	46	38%	0.381	25%	0.249	S	C	.	.	S	Bend	trans	80.1	-132.8	-168.7	0	0	0	0	0	111.6
329	E	96.4	Very high	97	Very high	155 Å²	155	43.8 Å²	43.8	72%	0.724	24%	0.237	S	C	*	.	S	Bend	trans	-106.2	146.7	-176.9	-64.3	179.2	175.4	0	0	111.9	G331 G332	E329-G331 PolarHBondContact O-N 2.97Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 2.84Å
330	V	96.8	Very high	97	Very high	62 Å²	62	43.8 Å²	43.8	38%	0.376	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	125.7	169.6	-176.5	0	0	0	0	109.4	M271 V326 G332	M271-V330 HydrophobicContact CE-CG1 4.42Å; M271-V330 HydrophobicContact CG-CG1 4.45Å; M271-V330 HydrophobicContact SD-CG1 3.96Å; V326-V330 HydrophobicContact CG1-CG2 4.07Å; V326-V330 HydrophobicContact CG2-CG2 4.36Å; V330-G332 VanDerWaalsContact C-N 3.25Å; V330-G332 PolarHBondContact O-N 2.91Å
331	G	95.8	Very high	96.7	Very high	20 Å²	20	36.6 Å²	36.6	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	0	-174	0	0	0	0	0	115.2	M271 I283 T284 E329	M271-G331 VanDerWaalsContact SD-CA 3.5Å; I283-G331 CarbonylContact O-C 3.55Å; I283-G331 VanDerWaalsContact O-CA 3.28Å; I283-G331 WeakPolarHBondContact O-CA 3.45Å; T284-G331 PolarHBondContact OG1-N 2.77Å; E329-G331 PolarHBondContact O-N 2.97Å
332	G	96	Very high	96.5	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	22%	0.216	C	C	.	.			trans	-93.4	4.2	177.7	0	0	0	0	0	114.6	I283 E329 V330 F334 K335 V336	I283-G332 PolarHBondContact O-N 3.31Å; E329-G332 WeakPolarHBondContact O-CA 3.3Å; E329-G332 PolarHBondContact O-N 2.84Å; V330-G332 VanDerWaalsContact C-N 3.25Å; V330-G332 PolarHBondContact O-N 2.91Å; G332-F334 PolarHBondContact O-N 3.14Å; G332-K335 WeakPolarHBondContact O-CB 3.46Å; G332-K335 PolarHBondContact O-N 2.88Å; G332-K335 VanDerWaalsContact O-N 3.15Å; G332-V336 PolarHBondContact O-N 3.16Å
333	G	97.5	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-31.4	-170.8	0	0	0	0	0	114.9	F266 I283 K335 V336 A337	F266-G333 WeakPolarHBondContact CE1-O 3.44Å; I283-G333 VanDerWaalsContact O-CA 3.28Å; I283-G333 WeakPolarHBondContact O-CA 3.31Å; I283-G333 PolarHBondContact O-N 3.11Å; G333-K335 VanDerWaalsContact C-N 3.34Å; G333-K335 PolarHBondContact O-N 3.01Å; G333-V336 WeakPolarHBondContact O-CB 3.34Å; G333-V336 PolarHBondContact O-N 3.4Å; G333-A337 PolarHBondContact O-N 2.85Å
334	F	94.7	Very high	95.8	Very high	57 Å²	57	35.3 Å²	35.3	25%	0.25	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-41.4	174.6	-174.2	-97.3	0	0	0	111.6	A49 A229 A230 I283 G332 V336 A337 M338	A49-F334 HydrophobicContact CB-CZ 4.44Å; A229-F334 HydrophobicContact CB-CE2 4.16Å; A230-F334 HydrophobicContact CB-CE2 4.25Å; I283-F334 HydrophobicContact CB-CB 4.47Å; I283-F334 HydrophobicContact CD1-CB 4.46Å; I283-F334 HydrophobicContact CD1-CD2 4.19Å; G332-F334 PolarHBondContact O-N 3.14Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 2.86Å; F334-A337 PolarHBondContact O-N 3.14Å; F334-M338 HydrophobicContact CD1-CG 4.15Å; F334-M338 HydrophobicContact CE1-CG 3.79Å; F334-M338 HydrophobicContact CE2-CE 4.37Å; F334-M338 HydrophobicContact CZ-CE 4.48Å; F334-M338 HydrophobicContact CZ-CG 4.04Å; F334-M338 HydrophobicContact CZ-SD 4.25Å; F334-M338 WeakPolarHBondContact O-CG 3.07Å; F334-M338 PolarHBondContact O-N 2.81Å
335	K	94.1	Very high	95.6	Very high	75 Å²	75	30.8 Å²	30.8	33%	0.326	17%	0.174	S	C	.	.	H	α-helix	trans	-63.3	-42.4	174.6	177.8	177.6	169	179.7	0	110.5	A55 G332 G333 M338 N339	A55-K335 WeakPolarHBondContact O-CE 3.19Å; A55-K335 PolarHBondContact O-NZ 3.4Å; G332-K335 WeakPolarHBondContact O-CB 3.46Å; G332-K335 PolarHBondContact O-N 2.88Å; G332-K335 VanDerWaalsContact O-N 3.15Å; G333-K335 VanDerWaalsContact C-N 3.34Å; G333-K335 PolarHBondContact O-N 3.01Å; K335-M338 PolarHBondContact O-N 2.85Å; K335-N339 WeakPolarHBondContact CG-ND2 3.35Å; K335-N339 WeakPolarHBondContact O-CB 3.3Å; K335-N339 PolarHBondContact O-N 3.11Å; K335-N339 PolarHBondContact O-ND2 3.5Å
336	V	97.7	Very high	95.5	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-50.2	175.5	173	0	0	0	0	110.7	F196 F266 A285 G332 G333 F334 M338 N339 I340	F196-V336 HydrophobicContact CD1-CG2 4.39Å; F196-V336 HydrophobicContact CD2-CB 4.41Å; F196-V336 HydrophobicContact CD2-CG1 3.86Å; F196-V336 HydrophobicContact CD2-CG2 4.16Å; F196-V336 HydrophobicContact CE2-CB 4.4Å; F196-V336 HydrophobicContact CE2-CG1 4.14Å; F196-V336 HydrophobicContact CE2-CG2 4.35Å; F196-V336 HydrophobicContact CG-CG2 4.18Å; F266-V336 HydrophobicContact CE1-CB 4.41Å; F266-V336 HydrophobicContact CE1-CG1 4.22Å; A285-V336 HydrophobicContact CB-CB 4.18Å; A285-V336 HydrophobicContact CB-CG1 3.94Å; G332-V336 PolarHBondContact O-N 3.16Å; G333-V336 WeakPolarHBondContact O-CB 3.34Å; G333-V336 PolarHBondContact O-N 3.4Å; F334-V336 VanDerWaalsContact C-N 3.34Å; F334-V336 PolarHBondContact O-N 2.86Å; V336-M338 PolarHBondContact O-N 3.01Å; V336-N339 PolarHBondContact O-N 3.41Å; V336-I340 HydrophobicContact CG1-CD1 3.67Å; V336-I340 HydrophobicContact CG1-CG1 4.42Å; V336-I340 VanDerWaalsContact O-CG1 3.32Å; V336-I340 WeakPolarHBondContact O-CG1 3.27Å; V336-I340 PolarHBondContact O-N 2.97Å
337	A	95.7	Very high	95.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-55.8	-50.5	178	0	0	0	0	0	112	F218 L220 F266 G333 F334 N339 I340 L341	F218-A337 HydrophobicContact CZ-CB 4.45Å; L220-A337 HydrophobicContact CD2-CB 4.4Å; F266-A337 HydrophobicContact CD1-CB 4.02Å; F266-A337 HydrophobicContact CE1-CB 3.53Å; F266-A337 HydrophobicContact CE2-CB 4.44Å; F266-A337 HydrophobicContact CZ-CB 3.78Å; G333-A337 PolarHBondContact O-N 2.85Å; F334-A337 PolarHBondContact O-N 3.14Å; A337-N339 VanDerWaalsContact C-N 3.34Å; A337-N339 PolarHBondContact O-N 2.73Å; A337-I340 PolarHBondContact O-N 3.1Å; A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.44Å
338	M	94.1	Very high	95.4	Very high	57 Å²	57	31 Å²	31	28%	0.281	18%	0.175	S	C	.	.	H	α-helix	trans	-65.1	-36.7	-178.1	-66.8	-56.6	102.1	0	0	112.5	F334 K335 V336 L341 N342	F334-M338 HydrophobicContact CD1-CG 4.15Å; F334-M338 HydrophobicContact CE1-CG 3.79Å; F334-M338 HydrophobicContact CE2-CE 4.37Å; F334-M338 HydrophobicContact CZ-CE 4.48Å; F334-M338 HydrophobicContact CZ-CG 4.04Å; F334-M338 HydrophobicContact CZ-SD 4.25Å; F334-M338 WeakPolarHBondContact O-CG 3.07Å; F334-M338 PolarHBondContact O-N 2.81Å; K335-M338 PolarHBondContact O-N 2.85Å; V336-M338 PolarHBondContact O-N 3.01Å; M338-L341 HydrophobicContact CE-CD1 3.69Å; M338-N342 WeakPolarHBondContact O-CB 3.37Å; M338-N342 PolarHBondContact O-N 3.22Å
339	N	95.3	Very high	95.4	Very high	56 Å²	56	29.2 Å²	29.2	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-69.7	-37.9	176.6	-82	-81.6	0	0	0	112.3	F196 K335 V336 A337 N342 N343	F196-N339 HydrophobicContact CE2-CB 3.89Å; F196-N339 HydrophobicContact CZ-CB 3.62Å; K335-N339 WeakPolarHBondContact CG-ND2 3.35Å; K335-N339 WeakPolarHBondContact O-CB 3.3Å; K335-N339 PolarHBondContact O-N 3.11Å; K335-N339 PolarHBondContact O-ND2 3.5Å; V336-N339 PolarHBondContact O-N 3.41Å; A337-N339 VanDerWaalsContact C-N 3.34Å; A337-N339 PolarHBondContact O-N 2.73Å; N339-N342 PolarHBondContact O-N 3.12Å; N339-N343 VanDerWaalsContact O-CB 3.22Å; N339-N343 WeakPolarHBondContact O-CB 3.3Å; N339-N343 PolarHBondContact O-N 3.47Å
340	I	97.5	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-53.8	174.8	-71.1	165.3	0	0	0	110.2	I188 K191 F218 T264 F266 V336 A337 N342 N343 G344	I188-I340 HydrophobicContact CB-CG2 3.85Å; I188-I340 HydrophobicContact CG2-CG2 3.81Å; K191-I340 HydrophobicContact CB-CG2 4.13Å; K191-I340 HydrophobicContact CG-CG2 4.33Å; F218-I340 HydrophobicContact CD2-CG2 4.24Å; F218-I340 HydrophobicContact CE2-CB 4.34Å; F218-I340 HydrophobicContact CE2-CD1 4.08Å; F218-I340 HydrophobicContact CE2-CG2 3.9Å; T264-I340 HydrophobicContact CG2-CD1 4.44Å; F266-I340 HydrophobicContact CZ-CD1 4.28Å; V336-I340 HydrophobicContact CG1-CD1 3.67Å; V336-I340 HydrophobicContact CG1-CG1 4.42Å; V336-I340 VanDerWaalsContact O-CG1 3.32Å; V336-I340 WeakPolarHBondContact O-CG1 3.27Å; V336-I340 PolarHBondContact O-N 2.97Å; A337-I340 PolarHBondContact O-N 3.1Å; I340-N342 VanDerWaalsContact C-N 3.32Å; I340-N342 PolarHBondContact O-N 2.94Å; I340-N343 PolarHBondContact O-N 3.35Å; I340-G344 PolarHBondContact O-N 3.01Å
341	L	94.2	Very high	95.7	Very high	18 Å²	18	19.5 Å²	19.5	9%	0.094	11%	0.109	C	C	.	.	H	α-helix	trans	-59.7	-44	179.1	-63.1	170.7	0	0	0	111	I188 F218 A337 M338 N343 G344 R345 E466	I188-L341 HydrophobicContact CG2-CD2 4.48Å; F218-L341 HydrophobicContact CE1-CD2 4.34Å; F218-L341 HydrophobicContact CZ-CD2 4.37Å; A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.44Å; M338-L341 HydrophobicContact CE-CD1 3.69Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 2.7Å; L341-G344 PolarHBondContact O-N 2.92Å; L341-R345 VanDerWaalsContact O-CG 3.27Å; L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 3.41Å; L341-E466 WeakPolarHBondContact CD2-OE2 3.39Å
342	N	93.4	Very high	95.8	Very high	17 Å²	17	18.5 Å²	18.5	9%	0.091	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-41.2	178	-171.7	59.5	0	0	0	112.7	M338 N339 I340 F415 Q416	M338-N342 WeakPolarHBondContact O-CB 3.37Å; M338-N342 PolarHBondContact O-N 3.22Å; N339-N342 PolarHBondContact O-N 3.12Å; I340-N342 VanDerWaalsContact C-N 3.32Å; I340-N342 PolarHBondContact O-N 2.94Å; N342-F415 WeakPolarHBondContact ND2-CE2 3.35Å; N342-Q416 WeakPolarHBondContact OD1-CA 3.31Å; N342-Q416 WeakPolarHBondContact OD1-CB 3.42Å
343	N	93.3	Very high	96	Very high	23 Å²	23	17.6 Å²	17.6	12%	0.123	9%	0.09	C	C	.	.	H	α-helix	trans	-68.4	-33.9	178.1	-175.4	-91.7	0	0	0	112.2	K191 L195 N339 I340 L341 F346 M408	K191-N343 WeakPolarHBondContact CD-OD1 3.26Å; K191-N343 PolarHBondContact NZ-OD1 3.22Å; L195-N343 HydrophobicContact CD1-CB 4.07Å; N339-N343 VanDerWaalsContact O-CB 3.22Å; N339-N343 WeakPolarHBondContact O-CB 3.3Å; N339-N343 PolarHBondContact O-N 3.47Å; I340-N343 PolarHBondContact O-N 3.35Å; L341-N343 VanDerWaalsContact C-N 3.34Å; L341-N343 PolarHBondContact O-N 2.7Å; N343-F346 WeakPolarHBondContact O-CD1 3.5Å; N343-F346 WeakPolarHBondContact O-CE1 3.25Å; N343-M408 VanDerWaalsContact ND2-CE 3.25Å; N343-M408 WeakPolarHBondContact ND2-CE 3.33Å
344	G	87.8	Confident	96	Very high	7 Å²	7	17.7 Å²	17.7	7%	0.072	9%	0.091	C	C	.	.	H	α-helix	trans	-79	-23.4	-179.5	0	0	0	0	0	115.4	I340 L341 F346 G347	I340-G344 PolarHBondContact O-N 3.01Å; L341-G344 PolarHBondContact O-N 2.92Å; G344-F346 VanDerWaalsContact C-N 3.34Å; G344-F346 PolarHBondContact O-N 3.08Å; G344-G347 PolarHBondContact O-N 3.05Å
345	R	93.9	Very high	96.2	Very high	17 Å²	17	15.1 Å²	15.1	6%	0.064	8%	0.08	C	C	.	.	H	α-helix	trans	-58.5	-34	-170	-86.2	168.2	-169.8	161.6	5.4	115.7	L341 G347 M348 A419 K423	L341-R345 VanDerWaalsContact O-CG 3.27Å; L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 3.41Å; R345-G347 PolarHBondContact O-N 2.8Å; R345-M348 WeakPolarHBondContact O-CB 3.44Å; R345-M348 PolarHBondContact O-N 3.47Å; R345-A419 HydrophobicContact CB-CB 4.14Å; R345-K423 HydrophobicContact CG-CB 4.29Å; R345-K423 HydrophobicContact CG-CG 4.2Å
346	F	96.3	Very high	96.5	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	7%	0.065	C	C	.	.	H	α-helix	trans	-64.9	-32.2	178.3	80.3	-88.7	0	0	0	111.9	N161 Y164 A165 N343 G344 M348 A349 A350 I404 M408	N161-F346 HydrophobicContact CB-CE1 4.17Å; N161-F346 HydrophobicContact CB-CE2 4.01Å; N161-F346 HydrophobicContact CB-CZ 3.6Å; N161-F346 VanDerWaalsContact O-CE2 3.31Å; N161-F346 WeakPolarHBondContact O-CE2 3.38Å; N161-F346 WeakPolarHBondContact OD1-CZ 3.47Å; Y164-F346 AromaticContact CD1-CE2 3.9Å; Y164-F346 HydrophobicContact CD1-CE2 3.9Å; Y164-F346 AromaticContact CD1-CZ 3.71Å; Y164-F346 HydrophobicContact CD1-CZ 3.71Å; Y164-F346 HydrophobicContact CE1-CZ 4.28Å; A165-F346 HydrophobicContact CB-CD2 4.35Å; A165-F346 HydrophobicContact CB-CE2 4.09Å; N343-F346 WeakPolarHBondContact O-CD1 3.5Å; N343-F346 WeakPolarHBondContact O-CE1 3.25Å; G344-F346 VanDerWaalsContact C-N 3.34Å; G344-F346 PolarHBondContact O-N 3.08Å; F346-M348 PolarHBondContact O-N 2.93Å; F346-A349 PolarHBondContact O-N 3.2Å; F346-A349 VanDerWaalsContact O-N 3.16Å; F346-A350 PolarHBondContact O-N 3.2Å; F346-I404 HydrophobicContact CB-CB 4.2Å; F346-I404 HydrophobicContact CB-CG2 3.76Å; F346-M408 HydrophobicContact CD1-CE 3.74Å; F346-M408 HydrophobicContact CD1-SD 3.44Å; F346-M408 WeakPolarHBondContact CD1-SD 3.15Å; F346-M408 HydrophobicContact CE1-CE 3.59Å; F346-M408 HydrophobicContact CE1-SD 3.86Å; F346-M408 HydrophobicContact CG-SD 4.11Å
347	G	97.3	Very high	96.5	Very high	5 Å²	5	15 Å²	15	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-63.7	-31.4	178.1	0	0	0	0	0	112.1	V168 G344 R345 A350 A351	V168-G347 VanDerWaalsContact CG1-O 3.3Å; V168-G347 WeakPolarHBondContact CG1-O 3.48Å; G344-G347 PolarHBondContact O-N 3.05Å; R345-G347 PolarHBondContact O-N 2.8Å; G347-A350 PolarHBondContact O-N 3.47Å; G347-A351 PolarHBondContact O-N 3.4Å
348	M	98.1	Very high	96.6	Very high	17 Å²	17	16.1 Å²	16.1	8%	0.084	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-45.5	173	-173.3	173.4	-61.4	0	0	111.7	R345 F346 A350 A351 L352 K423 F462 F465 E466	R345-M348 WeakPolarHBondContact O-CB 3.44Å; R345-M348 PolarHBondContact O-N 3.47Å; F346-M348 PolarHBondContact O-N 2.93Å; M348-A350 VanDerWaalsContact C-N 3.27Å; M348-A350 PolarHBondContact O-N 3.48Å; M348-A351 PolarHBondContact O-N 2.94Å; M348-L352 HydrophobicContact CG-CD1 3.79Å; M348-L352 HydrophobicContact CG-CG 4.31Å; M348-L352 WeakPolarHBondContact O-CB 3.48Å; M348-L352 WeakPolarHBondContact O-CG 3.5Å; M348-L352 PolarHBondContact O-N 3.41Å; M348-K423 HydrophobicContact SD-CD 3.8Å; M348-K423 HydrophobicContact SD-CG 3.73Å; M348-F462 HydrophobicContact CE-CD1 4.13Å; M348-F462 HydrophobicContact CG-CD1 3.77Å; M348-F462 HydrophobicContact CG-CE1 4.24Å; M348-F462 HydrophobicContact SD-CD1 3.81Å; M348-F465 HydrophobicContact CE-CD1 4Å; M348-F465 HydrophobicContact CE-CE1 3.28Å; M348-F465 HydrophobicContact CE-CZ 3.99Å; M348-F465 HydrophobicContact SD-CE1 4.17Å; M348-E466 HydrophobicContact CE-CB 3.71Å; M348-E466 HydrophobicContact CE-CG 3.7Å
349	A	98.7	Very high	96.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.3	-37.4	176.4	0	0	0	0	0	111.8	F346 S353 T397 A401 A426	F346-A349 PolarHBondContact O-N 3.2Å; F346-A349 VanDerWaalsContact O-N 3.16Å; A349-S353 WeakPolarHBondContact O-CB 3.03Å; A349-S353 PolarHBondContact O-N 2.88Å; A349-T397 HydrophobicContact CB-CG2 4.48Å; A349-T397 WeakPolarHBondContact O-CG2 3.11Å; A349-A401 HydrophobicContact CB-CB 3.79Å; A349-A426 HydrophobicContact CB-CB 3.85Å
350	A	98.8	Very high	97	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64	-49.6	174.8	0	0	0	0	0	112.5	A165 V168 E169 F346 G347 M348 L352 S353 G354 A401	A165-A350 HydrophobicContact CB-CB 3.86Å; V168-A350 HydrophobicContact CG1-CB 4.36Å; E169-A350 WeakPolarHBondContact CA-O 3.1Å; F346-A350 PolarHBondContact O-N 3.2Å; G347-A350 PolarHBondContact O-N 3.47Å; M348-A350 VanDerWaalsContact C-N 3.27Å; M348-A350 PolarHBondContact O-N 3.48Å; A350-L352 VanDerWaalsContact C-N 3.31Å; A350-L352 PolarHBondContact O-N 3.3Å; A350-S353 WeakPolarHBondContact O-CB 3.42Å; A350-S353 PolarHBondContact O-N 2.9Å; A350-G354 PolarHBondContact O-N 2.82Å; A350-A401 HydrophobicContact CB-CB 4.13Å
351	A	98.9	Very high	97	Very high	12 Å²	12	14.6 Å²	14.6	10%	0.099	9%	0.092	C	C	.	.	H	α-helix	trans	-57.5	-46.8	177.3	0	0	0	0	0	111.2	V168 G172 G347 M348 S353 G354 T355	V168-A351 HydrophobicContact CG1-CB 3.67Å; G172-A351 WeakPolarHBondContact CA-O 3.38Å; G347-A351 PolarHBondContact O-N 3.4Å; M348-A351 PolarHBondContact O-N 2.94Å; A351-S353 PolarHBondContact O-N 3.06Å; A351-G354 WeakPolarHBondContact O-CA 3.47Å; A351-G354 PolarHBondContact O-N 2.99Å; A351-G354 VanDerWaalsContact O-N 3.09Å; A351-T355 PolarHBondContact O-N 2.97Å; A351-T355 PolarHBondContact O-OG1 3.22Å; A351-T355 VanDerWaalsContact O-OG1 3.11Å
352	L	98.9	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-71.8	-27.9	-176.8	-66	179.1	0	0	0	113.2	L176 M348 A350 G354 T355 M356 A426 A430 L459 F462	L176-L352 HydrophobicContact CD2-CD2 4.43Å; M348-L352 HydrophobicContact CG-CD1 3.79Å; M348-L352 HydrophobicContact CG-CG 4.31Å; M348-L352 WeakPolarHBondContact O-CB 3.48Å; M348-L352 WeakPolarHBondContact O-CG 3.5Å; M348-L352 PolarHBondContact O-N 3.41Å; A350-L352 VanDerWaalsContact C-N 3.31Å; A350-L352 PolarHBondContact O-N 3.3Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-T355 PolarHBondContact O-N 3.4Å; L352-M356 WeakPolarHBondContact O-CE 3.3Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 3.39Å; L352-A426 HydrophobicContact CB-CB 4.22Å; L352-A426 HydrophobicContact CD1-CB 3.95Å; L352-A430 HydrophobicContact CB-CB 4.03Å; L352-A430 HydrophobicContact CD2-CB 4.02Å; L352-A430 HydrophobicContact CG-CB 4.43Å; L352-L459 HydrophobicContact CD2-CD2 3.34Å; L352-F462 HydrophobicContact CD1-CB 4.38Å; L352-F462 HydrophobicContact CD1-CD1 4.02Å; L352-F462 HydrophobicContact CD1-CG 4.45Å; L352-F462 HydrophobicContact CD2-CD1 3.91Å; L352-F462 HydrophobicContact CD2-CE1 4.13Å; L352-F462 HydrophobicContact CD2-CG 4.17Å; L352-F462 HydrophobicContact CG-CD1 4.2Å
353	S	98.9	Very high	97.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.9	-48.3	165.3	173.5	0	0	0	0	110.8	E169 A349 A350 A351 M356 K357 Q394 E398	E169-S353 WeakPolarHBondContact OE2-CB 3.36Å; E169-S353 PolarHBondContact OE2-OG 3.29Å; A349-S353 WeakPolarHBondContact O-CB 3.03Å; A349-S353 PolarHBondContact O-N 2.88Å; A350-S353 WeakPolarHBondContact O-CB 3.42Å; A350-S353 PolarHBondContact O-N 2.9Å; A351-S353 PolarHBondContact O-N 3.06Å; S353-M356 PolarHBondContact O-N 3.11Å; S353-K357 WeakPolarHBondContact O-CG 3.31Å; S353-K357 PolarHBondContact O-N 3.11Å; S353-K357 VanDerWaalsContact O-N 3.07Å; S353-Q394 PolarHBondContact OG-NE2 3.47Å; S353-Q394 VanDerWaalsContact OG-NE2 3.09Å; S353-E398 WeakPolarHBondContact OG-CB 3.28Å
354	G	98.9	Very high	97.7	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-46.3	176.3	0	0	0	0	0	112.4	E169 G173 A350 A351 L352 M356 K357 G358	E169-G354 WeakPolarHBondContact O-CA 3.48Å; G173-G354 VanDerWaalsContact CA-O 3.28Å; G173-G354 WeakPolarHBondContact CA-O 3.09Å; A350-G354 PolarHBondContact O-N 2.82Å; A351-G354 WeakPolarHBondContact O-CA 3.47Å; A351-G354 PolarHBondContact O-N 2.99Å; A351-G354 VanDerWaalsContact O-N 3.09Å; L352-G354 VanDerWaalsContact C-N 3.32Å; G354-M356 VanDerWaalsContact C-N 3.3Å; G354-M356 PolarHBondContact O-N 2.76Å; G354-K357 WeakPolarHBondContact O-CB 3.45Å; G354-K357 PolarHBondContact O-N 3.25Å; G354-K357 VanDerWaalsContact O-N 3.15Å; G354-G358 PolarHBondContact O-N 3.41Å
355	T	98.9	Very high	98.3	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-55.2	-46.9	176.2	-52	0	0	0	0	111.5	G172 L176 A351 L352 K357 G358 V359 V455 L459	G172-T355 WeakPolarHBondContact O-CA 3.28Å; G172-T355 WeakPolarHBondContact O-CB 3.46Å; G172-T355 PolarHBondContact O-N 3.36Å; G172-T355 PolarHBondContact O-OG1 2.9Å; L176-T355 HydrophobicContact CD1-CG2 4.01Å; L176-T355 WeakPolarHBondContact CD2-OG1 3.26Å; A351-T355 PolarHBondContact O-N 2.97Å; A351-T355 PolarHBondContact O-OG1 3.22Å; A351-T355 VanDerWaalsContact O-OG1 3.11Å; L352-T355 PolarHBondContact O-N 3.4Å; T355-K357 PolarHBondContact O-N 2.8Å; T355-G358 PolarHBondContact O-N 3.5Å; T355-V359 WeakPolarHBondContact O-CG2 3.36Å; T355-V359 PolarHBondContact O-N 3.25Å; T355-V455 HydrophobicContact CG2-CG1 3.42Å; T355-V455 VanDerWaalsContact CG2-CG1 3.42Å; T355-L459 HydrophobicContact CG2-CD1 4.29Å; T355-L459 HydrophobicContact CG2-CD2 4.23Å; T355-L459 HydrophobicContact CG2-CG 4.48Å
356	M	98.9	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.7	-45.5	177.9	-74.4	-174.9	-73	0	0	111.8	L352 S353 G354 G358 V359 M360 Q394 T397 A429 A430 V433	L352-M356 WeakPolarHBondContact O-CE 3.3Å; L352-M356 WeakPolarHBondContact O-CG 3.33Å; L352-M356 PolarHBondContact O-N 3.39Å; S353-M356 PolarHBondContact O-N 3.11Å; G354-M356 VanDerWaalsContact C-N 3.3Å; G354-M356 PolarHBondContact O-N 2.76Å; M356-G358 VanDerWaalsContact C-N 3.31Å; M356-G358 PolarHBondContact O-N 2.79Å; M356-V359 WeakPolarHBondContact O-CG2 3.39Å; M356-V359 PolarHBondContact O-N 3.18Å; M356-M360 HydrophobicContact CB-SD 4.49Å; M356-M360 WeakPolarHBondContact O-CB 3.41Å; M356-M360 WeakPolarHBondContact O-CG 3.07Å; M356-M360 PolarHBondContact O-N 3.35Å; M356-Q394 HydrophobicContact CB-CB 3.99Å; M356-Q394 HydrophobicContact CB-CG 3.77Å; M356-Q394 HydrophobicContact CE-CB 4.32Å; M356-Q394 HydrophobicContact CE-CG 4.44Å; M356-Q394 HydrophobicContact SD-CB 4.22Å; M356-T397 VanDerWaalsContact CE-CB 3.43Å; M356-T397 HydrophobicContact CE-CG2 3.51Å; M356-T397 WeakPolarHBondContact CE-OG1 3.25Å; M356-A429 HydrophobicContact CE-CB 4.34Å; M356-A429 HydrophobicContact SD-CB 3.92Å; M356-A430 HydrophobicContact CG-CB 3.87Å; M356-A430 HydrophobicContact SD-CB 4.24Å; M356-V433 HydrophobicContact CB-CG1 4.07Å; M356-V433 HydrophobicContact CG-CB 3.86Å; M356-V433 HydrophobicContact CG-CG1 3.9Å; M356-V433 HydrophobicContact CG-CG2 4.01Å; M356-V433 HydrophobicContact SD-CB 4.11Å; M356-V433 HydrophobicContact SD-CG2 3.62Å
357	K	98.8	Very high	98.6	Very high	77 Å²	77	24.8 Å²	24.8	34%	0.335	14%	0.14	S	C	.	.	H	α-helix	trans	-56.5	-45.6	174.8	-68.5	173.5	179.5	172.2	0	111.5	E169 S353 G354 T355 A361 Q394 E398	E169-K357 IonicContact OE1-NZ 2.82Å; E169-K357 PolarHBondContact OE1-NZ 3.45Å; E169-K357 WeakPolarHBondContact OE2-CE 3.37Å; E169-K357 IonicContact OE2-NZ 2.71Å; E169-K357 PolarHBondContact OE2-NZ 3.37Å; S353-K357 WeakPolarHBondContact O-CG 3.31Å; S353-K357 PolarHBondContact O-N 3.11Å; S353-K357 VanDerWaalsContact O-N 3.07Å; G354-K357 WeakPolarHBondContact O-CB 3.45Å; G354-K357 PolarHBondContact O-N 3.25Å; G354-K357 VanDerWaalsContact O-N 3.15Å; T355-K357 PolarHBondContact O-N 2.8Å; K357-A361 PolarHBondContact O-N 3.18Å; K357-Q394 HydrophobicContact CG-CG 4.02Å; K357-E398 WeakPolarHBondContact CE-OE1 3.3Å; K357-E398 IonicContact NZ-OE1 3.88Å; K357-E398 PolarHBondContact NZ-OE1 3.38Å
358	G	98.2	Very high	98.7	Very high	25 Å²	25	26.4 Å²	26.4	26%	0.258	15%	0.153	S	C	.	.	H	α-helix	trans	-63.2	-47.6	-179.1	0	0	0	0	0	113.8	G354 T355 M356	G354-G358 PolarHBondContact O-N 3.41Å; T355-G358 PolarHBondContact O-N 3.5Å; M356-G358 VanDerWaalsContact C-N 3.31Å; M356-G358 PolarHBondContact O-N 2.79Å
359	V	98.4	Very high	98.7	Very high	4 Å²	4	30 Å²	30	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-73.3	-35.9	178.7	-59.3	0	0	0	0	112.2	T355 M356 A361 K362 A363 V433 T434 V455	T355-V359 WeakPolarHBondContact O-CG2 3.36Å; T355-V359 PolarHBondContact O-N 3.25Å; M356-V359 WeakPolarHBondContact O-CG2 3.39Å; M356-V359 PolarHBondContact O-N 3.18Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 2.84Å; V359-K362 PolarHBondContact O-N 3.15Å; V359-A363 PolarHBondContact O-N 2.68Å; V359-A363 VanDerWaalsContact O-N 3.13Å; V359-V433 HydrophobicContact CG2-CG1 3.83Å; V359-T434 HydrophobicContact CG1-CG2 4.26Å; V359-V455 HydrophobicContact CG1-CB 4.04Å; V359-V455 HydrophobicContact CG1-CG1 3.7Å; V359-V455 HydrophobicContact CG1-CG2 4.16Å
360	M	98.6	Very high	98.7	Very high	19 Å²	19	36 Å²	36	9%	0.094	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-39.5	176	-76.2	173.3	62.9	0	0	111.4	M356 K362 A363 I364 M390 A391 Q394 V433	M356-M360 HydrophobicContact CB-SD 4.49Å; M356-M360 WeakPolarHBondContact O-CB 3.41Å; M356-M360 WeakPolarHBondContact O-CG 3.07Å; M356-M360 PolarHBondContact O-N 3.35Å; M360-K362 PolarHBondContact O-N 3.06Å; M360-A363 PolarHBondContact O-N 3.35Å; M360-A363 VanDerWaalsContact O-N 3.13Å; M360-I364 HydrophobicContact CB-CD1 4.21Å; M360-I364 HydrophobicContact CE-CD1 4.45Å; M360-I364 WeakPolarHBondContact O-CB 3.4Å; M360-I364 WeakPolarHBondContact O-CD1 3.35Å; M360-I364 WeakPolarHBondContact O-CG1 3.4Å; M360-I364 PolarHBondContact O-N 3.24Å; M360-M390 HydrophobicContact CE-CB 4.14Å; M360-M390 HydrophobicContact CG-CB 4.15Å; M360-M390 HydrophobicContact CG-SD 4.43Å; M360-M390 HydrophobicContact SD-CB 4.03Å; M360-A391 HydrophobicContact CE-CB 4.07Å; M360-Q394 HydrophobicContact SD-CB 3.9Å; M360-Q394 HydrophobicContact SD-CG 4.31Å; M360-V433 HydrophobicContact CG-CG1 3.55Å; M360-V433 HydrophobicContact SD-CG1 4.06Å
361	A	98.5	Very high	98.7	Very high	58 Å²	58	39.3 Å²	39.3	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-55.3	-42.4	177.1	0	0	0	0	0	111.7	K357 V359 D365	K357-A361 PolarHBondContact O-N 3.18Å; V359-A361 VanDerWaalsContact C-N 3.31Å; V359-A361 PolarHBondContact O-N 2.84Å; A361-D365 WeakPolarHBondContact O-CB 3.45Å; A361-D365 PolarHBondContact O-N 3.03Å
362	K	98.5	Very high	98.7	Very high	88 Å²	88	42.7 Å²	42.7	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-66.7	-43	176	-63.5	-179.5	174.6	-173.8	0	112.6	V359 M360 H366 M441 S450 V452	V359-K362 PolarHBondContact O-N 3.15Å; M360-K362 PolarHBondContact O-N 3.06Å; K362-H366 WeakPolarHBondContact O-CB 3.36Å; K362-H366 PolarHBondContact O-N 2.8Å; K362-M441 HydrophobicContact CB-SD 4.45Å; K362-S450 PolarHBondContact NZ-O 3.23Å; K362-V452 HydrophobicContact CD-CG2 3.76Å
363	A	98.5	Very high	98.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.9	-40.9	178.9	0	0	0	0	0	112.2	V359 M360 H366 A367 M387 M390 V440	V359-A363 PolarHBondContact O-N 2.68Å; V359-A363 VanDerWaalsContact O-N 3.13Å; M360-A363 PolarHBondContact O-N 3.35Å; M360-A363 VanDerWaalsContact O-N 3.13Å; A363-H366 PolarHBondContact O-N 2.86Å; A363-A367 WeakPolarHBondContact O-CB 3.44Å; A363-A367 PolarHBondContact O-N 2.99Å; A363-M387 HydrophobicContact CB-CE 4.21Å; A363-M387 WeakPolarHBondContact O-CE 3.29Å; A363-M390 HydrophobicContact CB-CE 4.47Å; A363-V440 HydrophobicContact CB-CB 4.43Å; A363-V440 HydrophobicContact CB-CG1 4.33Å
364	I	98.7	Very high	98.6	Very high	85 Å²	85	54 Å²	54	44%	0.436	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-48.3	177.3	-69.6	164.1	0	0	0	109.9	M360 H366 A367 A368 M387	M360-I364 HydrophobicContact CB-CD1 4.21Å; M360-I364 HydrophobicContact CE-CD1 4.45Å; M360-I364 WeakPolarHBondContact O-CB 3.4Å; M360-I364 WeakPolarHBondContact O-CD1 3.35Å; M360-I364 WeakPolarHBondContact O-CG1 3.4Å; M360-I364 PolarHBondContact O-N 3.24Å; I364-H366 VanDerWaalsContact C-N 3.34Å; I364-H366 PolarHBondContact O-N 2.89Å; I364-A367 PolarHBondContact O-N 3.27Å; I364-A368 WeakPolarHBondContact O-CB 3.32Å; I364-A368 PolarHBondContact O-N 3.37Å; I364-M387 HydrophobicContact CG1-SD 3.75Å
365	D	98.7	Very high	98.6	Very high	97 Å²	97	58 Å²	58	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-46.6	175.8	178.3	71.4	0	0	0	111.6	A361 A367 A368 N369	A361-D365 WeakPolarHBondContact O-CB 3.45Å; A361-D365 PolarHBondContact O-N 3.03Å; D365-A367 VanDerWaalsContact C-N 3.33Å; D365-A367 PolarHBondContact O-N 3.37Å; D365-A368 PolarHBondContact O-N 3.16Å; D365-N369 WeakPolarHBondContact O-CB 3.47Å; D365-N369 PolarHBondContact O-N 3.46Å; D365-N369 PolarHBondContact O-ND2 3.15Å; D365-N369 VanDerWaalsContact O-ND2 3.1Å; D365-N369 PolarHBondContact OD1-ND2 3.08Å
366	H	98.8	Very high	98.6	Very high	25 Å²	25	61.7 Å²	61.7	12%	0.116	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-46.1	175.9	-172.1	82.7	0	0	0	111.7	K362 A363 I364 A368 N369 R370 V440 M441 M444	K362-H366 WeakPolarHBondContact O-CB 3.36Å; K362-H366 PolarHBondContact O-N 2.8Å; A363-H366 PolarHBondContact O-N 2.86Å; I364-H366 VanDerWaalsContact C-N 3.34Å; I364-H366 PolarHBondContact O-N 2.89Å; H366-A368 VanDerWaalsContact C-N 3.34Å; H366-A368 PolarHBondContact O-N 3.42Å; H366-N369 PolarHBondContact O-N 2.95Å; H366-R370 WeakPolarHBondContact O-CB 3.42Å; H366-R370 PolarHBondContact O-N 3.35Å; H366-V440 PolarHBondContact CD2-O 2.92Å; H366-M441 HydrophobicContact CB-CG 3.94Å; H366-M444 WeakPolarHBondContact ND1-CE 3.08Å
367	A	98.7	Very high	98.6	Very high	2 Å²	2	62.4 Å²	62.4	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-67	-35.5	-178.4	0	0	0	0	0	113.3	A363 I364 D365 I377 H378 I383 M387 V440	A363-A367 WeakPolarHBondContact O-CB 3.44Å; A363-A367 PolarHBondContact O-N 2.99Å; I364-A367 PolarHBondContact O-N 3.27Å; D365-A367 VanDerWaalsContact C-N 3.33Å; D365-A367 PolarHBondContact O-N 3.37Å; A367-I377 VanDerWaalsContact CA-CG1 3.49Å; A367-I377 HydrophobicContact CB-CD1 4.3Å; A367-I377 HydrophobicContact CB-CG1 4Å; A367-I377 WeakPolarHBondContact O-CG1 3.09Å; A367-I377 PolarHBondContact O-N 2.94Å; A367-H378 HydrophobicContact CB-CB 4.12Å; A367-H378 PolarHBondContact O-CD2 3.23Å; A367-H378 PolarHBondContact O-N 3.42Å; A367-H378 VanDerWaalsContact O-N 3.13Å; A367-I383 HydrophobicContact CB-CG2 4.03Å; A367-M387 HydrophobicContact CB-CE 3.59Å; A367-V440 HydrophobicContact CB-CG1 4.07Å
368	A	98.5	Very high	98.5	Very high	40 Å²	40	63 Å²	63	33%	0.331	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-36.5	175.7	0	0	0	0	0	112	I364 D365 H366 K376	I364-A368 WeakPolarHBondContact O-CB 3.32Å; I364-A368 PolarHBondContact O-N 3.37Å; D365-A368 PolarHBondContact O-N 3.16Å; H366-A368 VanDerWaalsContact C-N 3.34Å; H366-A368 PolarHBondContact O-N 3.42Å; A368-K376 VanDerWaalsContact O-CD 3.27Å; A368-K376 WeakPolarHBondContact O-CD 3.44Å; A368-K376 WeakPolarHBondContact O-CG 3.38Å
369	N	98.6	Very high	98.6	Very high	92 Å²	92	64.8 Å²	64.8	49%	0.492	35%	0.348	S	S	.	.	H	α-helix	trans	-101.7	-25.2	-170.2	-70.7	-51.1	0	0	0	114.7	D365 H366 T371 K376	D365-N369 WeakPolarHBondContact O-CB 3.47Å; D365-N369 PolarHBondContact O-N 3.46Å; D365-N369 PolarHBondContact O-ND2 3.15Å; D365-N369 VanDerWaalsContact O-ND2 3.1Å; D365-N369 PolarHBondContact OD1-ND2 3.08Å; H366-N369 PolarHBondContact O-N 2.95Å; N369-T371 PolarHBondContact O-N 3.46Å; N369-K376 PolarHBondContact O-NZ 3.45Å
370	R	98.6	Very high	98.6	Very high	126 Å²	126	67.8 Å²	67.8	48%	0.475	36%	0.359	S	S	.	.			trans	-75.8	122.8	-177.7	179.9	60.6	172.4	174.2	-0.6	111.6	H366 K376 I377	H366-R370 WeakPolarHBondContact O-CB 3.42Å; H366-R370 PolarHBondContact O-N 3.35Å; R370-K376 CarbonylContact O-C 3.57Å; R370-K376 VanDerWaalsContact O-CA 3.3Å; R370-K376 WeakPolarHBondContact O-CA 3.43Å; R370-I377 HydrophobicContact CB-CD1 4.05Å; R370-I377 HydrophobicContact CB-CG1 4.17Å; R370-I377 HydrophobicContact CB-CG2 4.42Å; R370-I377 HydrophobicContact CG-CD1 4.17Å; R370-I377 HydrophobicContact CG-CG2 4.05Å; R370-I377 PolarHBondContact O-N 3.21Å
371	T	98.8	Very high	98.6	Very high	69 Å²	69	69.1 Å²	69.1	42%	0.423	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.6	169.3	-57.2	0	0	0	0	110.5	N369 N375 K376	N369-T371 PolarHBondContact O-N 3.46Å; T371-N375 VanDerWaalsContact CA-O 3.3Å; T371-N375 WeakPolarHBondContact CA-O 3.47Å; T371-K376 PolarHBondContact OG1-NZ 3.06Å
372	Q	98.5	Very high	98.6	Very high	83 Å²	83	69.7 Å²	69.7	39%	0.388	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.3	168.1	-167.3	53.5	-104.4	0	0	108.6	G374 N375 I377 Y380	Q372-G374 PolarHBondContact O-N 3.11Å; Q372-N375 PolarHBondContact N-O 2.94Å; Q372-N375 PolarHBondContact O-N 2.87Å; Q372-N375 VanDerWaalsContact O-N 3.17Å; Q372-I377 HydrophobicContact CB-CG2 3.91Å; Q372-Y380 PolarHBondContact O-OH 2.95Å
373	F	98.2	Very high	98.6	Very high	171 Å²	171	66.7 Å²	66.7	75%	0.75	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	37.8	-176.9	-49	-72.3	0	0	0	113.9	N375 Y380	F373-N375 PolarHBondContact O-N 3.26Å; F373-Y380 WeakPolarHBondContact CB-OH 3.33Å; F373-Y380 PolarHBondContact O-OH 3.35Å
374	G	98.1	Very high	98.6	Very high	67 Å²	67	71.5 Å²	71.5	69%	0.691	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-5.6	175	0	0	0	0	0	117.1	Q372	Q372-G374 PolarHBondContact O-N 3.11Å
375	N	98.4	Very high	98.6	Very high	88 Å²	88	72.3 Å²	72.3	47%	0.471	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	165.3	179.3	-64.6	-76.5	0	0	0	112.4	T371 Q372 F373	T371-N375 VanDerWaalsContact CA-O 3.3Å; T371-N375 WeakPolarHBondContact CA-O 3.47Å; Q372-N375 PolarHBondContact N-O 2.94Å; Q372-N375 PolarHBondContact O-N 2.87Å; Q372-N375 VanDerWaalsContact O-N 3.17Å; F373-N375 PolarHBondContact O-N 3.26Å
376	K	98.8	Very high	98.6	Very high	79 Å²	79	70.2 Å²	70.2	34%	0.343	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	136.3	168.6	-62.3	-56.9	-166.4	-173.8	0	109.7	A368 N369 R370 T371 H378 T379	A368-K376 VanDerWaalsContact O-CD 3.27Å; A368-K376 WeakPolarHBondContact O-CD 3.44Å; A368-K376 WeakPolarHBondContact O-CG 3.38Å; N369-K376 PolarHBondContact O-NZ 3.45Å; R370-K376 CarbonylContact O-C 3.57Å; R370-K376 VanDerWaalsContact O-CA 3.3Å; R370-K376 WeakPolarHBondContact O-CA 3.43Å; T371-K376 PolarHBondContact OG1-NZ 3.06Å; K376-H378 WeakPolarHBondContact CB-CD2 3.33Å; K376-H378 PolarHBondContact O-N 3.24Å; K376-H378 VanDerWaalsContact O-N 3.11Å; K376-T379 PolarHBondContact O-N 3.38Å; K376-T379 PolarHBondContact O-OG1 3.37Å
377	I	98.8	Very high	98.6	Very high	15 Å²	15	70.7 Å²	70.7	8%	0.077	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-66.8	-21.6	-168.9	66.9	173.3	0	0	0	113.7	A367 R370 Q372 T379 Y380 I383 V440	A367-I377 VanDerWaalsContact CA-CG1 3.49Å; A367-I377 HydrophobicContact CB-CD1 4.3Å; A367-I377 HydrophobicContact CB-CG1 4Å; A367-I377 WeakPolarHBondContact O-CG1 3.09Å; A367-I377 PolarHBondContact O-N 2.94Å; R370-I377 HydrophobicContact CB-CD1 4.05Å; R370-I377 HydrophobicContact CB-CG1 4.17Å; R370-I377 HydrophobicContact CB-CG2 4.42Å; R370-I377 HydrophobicContact CG-CD1 4.17Å; R370-I377 HydrophobicContact CG-CG2 4.05Å; R370-I377 PolarHBondContact O-N 3.21Å; Q372-I377 HydrophobicContact CB-CG2 3.91Å; I377-T379 PolarHBondContact O-N 3.45Å; I377-T379 VanDerWaalsContact O-N 3.12Å; I377-Y380 HydrophobicContact CB-CD2 4.1Å; I377-Y380 HydrophobicContact CB-CE2 4.4Å; I377-Y380 HydrophobicContact CG2-CD2 4.36Å; I377-Y380 HydrophobicContact CG2-CE2 4.24Å; I377-Y380 WeakPolarHBondContact O-CD2 3.47Å; I377-Y380 PolarHBondContact O-N 2.93Å; I377-Y380 VanDerWaalsContact O-N 3.1Å; I377-I383 HydrophobicContact CB-CG1 4.31Å; I377-I383 WeakPolarHBondContact O-CB 3.47Å; I377-I383 WeakPolarHBondContact O-CG1 3.47Å; I377-V440 HydrophobicContact CD1-CG1 4.47Å
378	H	98.6	Very high	98.6	Very high	89 Å²	89	72.9 Å²	72.9	41%	0.412	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-62.9	-12.8	173.6	77.8	87	0	0	0	114	A367 K376 Y380 Q384	A367-H378 HydrophobicContact CB-CB 4.12Å; A367-H378 PolarHBondContact O-CD2 3.23Å; A367-H378 PolarHBondContact O-N 3.42Å; A367-H378 VanDerWaalsContact O-N 3.13Å; K376-H378 WeakPolarHBondContact CB-CD2 3.33Å; K376-H378 PolarHBondContact O-N 3.24Å; K376-H378 VanDerWaalsContact O-N 3.11Å; H378-Y380 VanDerWaalsContact C-N 3.31Å; H378-Q384 VanDerWaalsContact O-CG 3.24Å; H378-Q384 WeakPolarHBondContact O-CG 3.45Å; H378-Q384 PolarHBondContact O-NE2 3.41Å
379	T	98.6	Very high	98.7	Very high	63 Å²	63	75.3 Å²	75.3	39%	0.387	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-81.3	-10.7	175.3	69	0	0	0	0	113	K376 I377 Q384	K376-T379 PolarHBondContact O-N 3.38Å; K376-T379 PolarHBondContact O-OG1 3.37Å; I377-T379 PolarHBondContact O-N 3.45Å; I377-T379 VanDerWaalsContact O-N 3.12Å; T379-Q384 PolarHBondContact O-NE2 3.06Å
380	Y	98.8	Very high	98.7	Very high	67 Å²	67	71 Å²	71	26%	0.263	38%	0.38	S	S	.	.	S	Bend	trans	-88.9	131.9	-179.3	-59.5	-54.7	0	0	0	111.5	Q372 F373 I377 H378 A382 I383 Q384	Q372-Y380 PolarHBondContact O-OH 2.95Å; F373-Y380 WeakPolarHBondContact CB-OH 3.33Å; F373-Y380 PolarHBondContact O-OH 3.35Å; I377-Y380 HydrophobicContact CB-CD2 4.1Å; I377-Y380 HydrophobicContact CB-CE2 4.4Å; I377-Y380 HydrophobicContact CG2-CD2 4.36Å; I377-Y380 HydrophobicContact CG2-CE2 4.24Å; I377-Y380 WeakPolarHBondContact O-CD2 3.47Å; I377-Y380 PolarHBondContact O-N 2.93Å; I377-Y380 VanDerWaalsContact O-N 3.1Å; H378-Y380 VanDerWaalsContact C-N 3.31Å; Y380-A382 PolarHBondContact O-N 2.91Å; Y380-A382 VanDerWaalsContact O-N 3.16Å; Y380-I383 PolarHBondContact O-N 2.76Å; Y380-Q384 WeakPolarHBondContact O-CG 3.39Å; Y380-Q384 PolarHBondContact O-N 2.9Å
381	G	98.7	Very high	98.7	Very high	48 Å²	48	66 Å²	66	50%	0.495	37%	0.366	S	S	.	.	H	α-helix	trans	-53.8	-37.8	-178	0	0	0	0	0	114	I383 Q384 E385	G381-I383 VanDerWaalsContact C-N 3.28Å; G381-I383 PolarHBondContact O-N 2.92Å; G381-Q384 PolarHBondContact O-N 3.4Å; G381-E385 PolarHBondContact O-N 3.2Å
382	A	98.6	Very high	98.7	Very high	69 Å²	69	63.2 Å²	63.2	57%	0.57	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-30.6	177	0	0	0	0	0	113.6	Y380 K386	Y380-A382 PolarHBondContact O-N 2.91Å; Y380-A382 VanDerWaalsContact O-N 3.16Å; A382-K386 WeakPolarHBondContact O-CG 3.45Å
383	I	98.8	Very high	98.7	Very high	26 Å²	26	60.7 Å²	60.7	13%	0.133	34%	0.337	C	S	.	.	H	α-helix	trans	-81.5	-40.4	174.5	-60.4	-60.4	0	0	0	110.2	A367 I377 Y380 G381 E385 K386 M387 V440	A367-I383 HydrophobicContact CB-CG2 4.03Å; I377-I383 HydrophobicContact CB-CG1 4.31Å; I377-I383 WeakPolarHBondContact O-CB 3.47Å; I377-I383 WeakPolarHBondContact O-CG1 3.47Å; Y380-I383 PolarHBondContact O-N 2.76Å; G381-I383 VanDerWaalsContact C-N 3.28Å; G381-I383 PolarHBondContact O-N 2.92Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 2.87Å; I383-K386 PolarHBondContact O-N 3.24Å; I383-M387 HydrophobicContact CG2-CE 4.19Å; I383-M387 HydrophobicContact CG2-CG 4.35Å; I383-M387 WeakPolarHBondContact O-CG 3.36Å; I383-M387 PolarHBondContact O-N 2.88Å; I383-V440 HydrophobicContact CD1-CG2 4.42Å
384	Q	98.9	Very high	98.7	Very high	100 Å²	100	53.7 Å²	53.7	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-42.5	177.7	-67.9	167.2	-7.2	0	0	112	H378 T379 Y380 G381 M387 A388	H378-Q384 VanDerWaalsContact O-CG 3.24Å; H378-Q384 WeakPolarHBondContact O-CG 3.45Å; H378-Q384 PolarHBondContact O-NE2 3.41Å; T379-Q384 PolarHBondContact O-NE2 3.06Å; Y380-Q384 WeakPolarHBondContact O-CG 3.39Å; Y380-Q384 PolarHBondContact O-N 2.9Å; G381-Q384 PolarHBondContact O-N 3.4Å; Q384-M387 PolarHBondContact O-N 2.93Å; Q384-A388 WeakPolarHBondContact O-CB 3.41Å; Q384-A388 PolarHBondContact O-N 3.31Å
385	E	98.9	Very high	98.8	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-61.8	-45	176.4	-174.1	178.6	174.9	0	0	111.6	G381 I383 M387 A388 R389	G381-E385 PolarHBondContact O-N 3.2Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 2.87Å; E385-M387 PolarHBondContact O-N 2.98Å; E385-A388 PolarHBondContact O-N 3.25Å; E385-R389 HydrophobicContact CG-CG 4.37Å; E385-R389 WeakPolarHBondContact O-CB 3.25Å; E385-R389 VanDerWaalsContact O-CG 3.3Å; E385-R389 WeakPolarHBondContact O-CG 3.29Å; E385-R389 PolarHBondContact O-N 3.39Å; E385-R389 IonicContact OE1-CZ 3.52Å; E385-R389 VanDerWaalsContact OE1-CZ 3.25Å; E385-R389 IonicContact OE1-NE 3.35Å; E385-R389 PolarHBondContact OE1-NE 2.95Å; E385-R389 IonicContact OE1-NH2 2.99Å; E385-R389 PolarHBondContact OE1-NH2 3.2Å
386	K	98.8	Very high	98.8	Very high	52 Å²	52	46.8 Å²	46.8	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-47	175.8	-69.8	173.7	-176.1	-63.6	0	111.1	A382 I383 A388 R389 M390 E436 V440	A382-K386 WeakPolarHBondContact O-CG 3.45Å; I383-K386 PolarHBondContact O-N 3.24Å; K386-A388 PolarHBondContact O-N 3.46Å; K386-R389 PolarHBondContact O-N 3.42Å; K386-M390 WeakPolarHBondContact O-CB 3.35Å; K386-M390 VanDerWaalsContact O-CG 3.25Å; K386-M390 WeakPolarHBondContact O-CG 3.36Å; K386-M390 PolarHBondContact O-N 2.57Å; K386-E436 VanDerWaalsContact CD-OE2 3.23Å; K386-E436 WeakPolarHBondContact CD-OE2 3.29Å; K386-E436 WeakPolarHBondContact CE-OE2 3.39Å; K386-E436 IonicContact NZ-OE1 2.77Å; K386-E436 PolarHBondContact NZ-OE1 3.32Å; K386-E436 IonicContact NZ-OE2 2.64Å; K386-E436 PolarHBondContact NZ-OE2 3.3Å; K386-V440 HydrophobicContact CB-CG2 4.3Å; K386-V440 HydrophobicContact CD-CG2 4.1Å
387	M	98.7	Very high	98.8	Very high	35 Å²	35	43 Å²	43	17%	0.172	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-45.8	177.8	-66.8	-61.5	167	0	0	112.3	A363 I364 A367 I383 Q384 E385 M390 A391 V440	A363-M387 HydrophobicContact CB-CE 4.21Å; A363-M387 WeakPolarHBondContact O-CE 3.29Å; I364-M387 HydrophobicContact CG1-SD 3.75Å; A367-M387 HydrophobicContact CB-CE 3.59Å; I383-M387 HydrophobicContact CG2-CE 4.19Å; I383-M387 HydrophobicContact CG2-CG 4.35Å; I383-M387 WeakPolarHBondContact O-CG 3.36Å; I383-M387 PolarHBondContact O-N 2.88Å; Q384-M387 PolarHBondContact O-N 2.93Å; E385-M387 PolarHBondContact O-N 2.98Å; M387-M390 HydrophobicContact CE-CE 4.06Å; M387-M390 HydrophobicContact CG-CE 4.47Å; M387-M390 PolarHBondContact O-N 3.32Å; M387-M390 HydrophobicContact SD-CE 3.45Å; M387-M390 WeakPolarHBondContact SD-CE 3.24Å; M387-A391 WeakPolarHBondContact O-CB 3.15Å; M387-A391 PolarHBondContact O-N 3.35Å; M387-V440 HydrophobicContact CE-CB 4.32Å; M387-V440 HydrophobicContact CE-CG1 3.6Å; M387-V440 HydrophobicContact CE-CG2 3.91Å
388	A	98.8	Very high	98.8	Very high	48 Å²	48	43.4 Å²	43.4	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-44.8	178.4	0	0	0	0	0	112	Q384 E385 K386 A391 M392	Q384-A388 WeakPolarHBondContact O-CB 3.41Å; Q384-A388 PolarHBondContact O-N 3.31Å; E385-A388 PolarHBondContact O-N 3.25Å; K386-A388 PolarHBondContact O-N 3.46Å; A388-A391 PolarHBondContact O-N 2.96Å; A388-M392 WeakPolarHBondContact O-CG 3.27Å; A388-M392 PolarHBondContact O-N 3.35Å
389	R	98.9	Very high	98.8	Very high	92 Å²	92	39.1 Å²	39.1	35%	0.347	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-44.2	176.9	-72	-178	-179.3	-61.3	-10.8	111.8	E385 K386 A391 M392 L393 E613	E385-R389 HydrophobicContact CG-CG 4.37Å; E385-R389 WeakPolarHBondContact O-CB 3.25Å; E385-R389 VanDerWaalsContact O-CG 3.3Å; E385-R389 WeakPolarHBondContact O-CG 3.29Å; E385-R389 PolarHBondContact O-N 3.39Å; E385-R389 IonicContact OE1-CZ 3.52Å; E385-R389 VanDerWaalsContact OE1-CZ 3.25Å; E385-R389 IonicContact OE1-NE 3.35Å; E385-R389 PolarHBondContact OE1-NE 2.95Å; E385-R389 IonicContact OE1-NH2 2.99Å; E385-R389 PolarHBondContact OE1-NH2 3.2Å; K386-R389 PolarHBondContact O-N 3.42Å; R389-A391 PolarHBondContact O-N 3.3Å; R389-M392 HydrophobicContact CG-CE 4.19Å; R389-M392 PolarHBondContact O-N 2.97Å; R389-L393 WeakPolarHBondContact O-CB 3.41Å; R389-L393 VanDerWaalsContact O-CG 3.31Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.33Å; R389-E613 IonicContact CZ-OE1 2.59Å; R389-E613 IonicContact CZ-OE2 3.69Å; R389-E613 VanDerWaalsContact NH1-CD 3.31Å; R389-E613 IonicContact NH1-OE1 3.73Å; R389-E613 PolarHBondContact NH1-OE1 3.32Å; R389-E613 VanDerWaalsContact NH1-OE1 3.09Å; R389-E613 IonicContact NH1-OE2 2.74Å; R389-E613 PolarHBondContact NH1-OE2 3.34Å; R389-E613 IonicContact NH2-OE1 3.72Å; R389-E613 PolarHBondContact NH2-OE1 3.12Å; R389-E613 IonicContact NH2-OE2 3.25Å
390	M	98.9	Very high	98.9	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-43.7	176.5	-69.6	-172.1	-66.2	0	0	112	M360 A363 K386 M387 L393 Q394 V433 E436 V440	M360-M390 HydrophobicContact CE-CB 4.14Å; M360-M390 HydrophobicContact CG-CB 4.15Å; M360-M390 HydrophobicContact CG-SD 4.43Å; M360-M390 HydrophobicContact SD-CB 4.03Å; A363-M390 HydrophobicContact CB-CE 4.47Å; K386-M390 WeakPolarHBondContact O-CB 3.35Å; K386-M390 VanDerWaalsContact O-CG 3.25Å; K386-M390 WeakPolarHBondContact O-CG 3.36Å; K386-M390 PolarHBondContact O-N 2.57Å; M387-M390 HydrophobicContact CE-CE 4.06Å; M387-M390 HydrophobicContact CG-CE 4.47Å; M387-M390 PolarHBondContact O-N 3.32Å; M387-M390 HydrophobicContact SD-CE 3.45Å; M387-M390 WeakPolarHBondContact SD-CE 3.24Å; M390-L393 PolarHBondContact O-N 3.13Å; M390-Q394 WeakPolarHBondContact O-CB 3.4Å; M390-Q394 PolarHBondContact O-N 3.22Å; M390-V433 HydrophobicContact CB-CG1 4.17Å; M390-V433 HydrophobicContact CB-CG2 4.02Å; M390-V433 HydrophobicContact CG-CB 4.26Å; M390-V433 HydrophobicContact CG-CG1 4.06Å; M390-V433 HydrophobicContact CG-CG2 4.01Å; M390-V433 HydrophobicContact SD-CG1 4.02Å; M390-V433 VanDerWaalsContact SD-O 3.4Å; M390-E436 HydrophobicContact CG-CB 4.21Å; M390-E436 HydrophobicContact SD-CB 3.85Å; M390-V440 HydrophobicContact CE-CG2 4.48Å
391	A	98.9	Very high	98.9	Very high	21 Å²	21	33 Å²	33	17%	0.174	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-43.4	176.6	0	0	0	0	0	112.8	M360 M387 A388 R389 Q394 Y395 L606	M360-A391 HydrophobicContact CE-CB 4.07Å; M387-A391 WeakPolarHBondContact O-CB 3.15Å; M387-A391 PolarHBondContact O-N 3.35Å; A388-A391 PolarHBondContact O-N 2.96Å; R389-A391 PolarHBondContact O-N 3.3Å; A391-Q394 PolarHBondContact O-N 2.77Å; A391-Y395 VanDerWaalsContact O-CB 3.26Å; A391-Y395 WeakPolarHBondContact O-CB 3.18Å; A391-Y395 PolarHBondContact O-N 3.46Å; A391-L606 HydrophobicContact CB-CD2 4.2Å
392	M	98.9	Very high	98.9	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-62.2	-44.9	175.5	-72.1	-173.1	-69.2	0	0	112.1	A388 R389 Q394 Y395 V396 L606 T609 W610	A388-M392 WeakPolarHBondContact O-CG 3.27Å; A388-M392 PolarHBondContact O-N 3.35Å; R389-M392 HydrophobicContact CG-CE 4.19Å; R389-M392 PolarHBondContact O-N 2.97Å; M392-Q394 PolarHBondContact O-N 3.05Å; M392-Y395 PolarHBondContact O-N 2.97Å; M392-V396 VanDerWaalsContact O-CG2 3.23Å; M392-V396 WeakPolarHBondContact O-CG2 3.27Å; M392-V396 PolarHBondContact O-N 3.06Å; M392-L606 HydrophobicContact CG-CD2 3.79Å; M392-T609 HydrophobicContact CE-CG2 3.88Å; M392-T609 HydrophobicContact SD-CG2 3.5Å; M392-T609 VanDerWaalsContact SD-CG2 3.5Å; M392-W610 HydrophobicContact CB-CE3 4.18Å; M392-W610 HydrophobicContact SD-CB 4.23Å
393	L	98.9	Very high	98.9	Very high	30 Å²	30	29.4 Å²	29.4	16%	0.157	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.8	-74.9	174.3	0	0	0	112.2	R389 M390 T397 F425 A429 T432 V433 W610	R389-L393 WeakPolarHBondContact O-CB 3.41Å; R389-L393 VanDerWaalsContact O-CG 3.31Å; R389-L393 WeakPolarHBondContact O-CG 3.37Å; R389-L393 PolarHBondContact O-N 3.33Å; M390-L393 PolarHBondContact O-N 3.13Å; L393-T397 WeakPolarHBondContact O-CB 3.47Å; L393-T397 PolarHBondContact O-N 3.37Å; L393-T397 VanDerWaalsContact O-N 3.11Å; L393-T397 PolarHBondContact O-OG1 3.26Å; L393-F425 HydrophobicContact CD2-CE1 4.39Å; L393-F425 HydrophobicContact CD2-CZ 3.87Å; L393-A429 HydrophobicContact CB-CB 4.07Å; L393-A429 HydrophobicContact CD2-CB 4.08Å; L393-T432 HydrophobicContact CD1-CG2 4.01Å; L393-V433 HydrophobicContact CB-CG2 3.93Å; L393-V433 HydrophobicContact CD1-CG2 3.94Å; L393-W610 HydrophobicContact CD2-CH2 4.42Å; L393-W610 HydrophobicContact CD2-CZ3 4.13Å
394	Q	98.9	Very high	98.9	Very high	23 Å²	23	28.2 Å²	28.2	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-63.5	-48.7	174.5	-173.3	-77	-43.8	0	0	111	S353 M356 K357 M360 M390 A391 M392 V396 T397 E398	S353-Q394 PolarHBondContact OG-NE2 3.47Å; S353-Q394 VanDerWaalsContact OG-NE2 3.09Å; M356-Q394 HydrophobicContact CB-CB 3.99Å; M356-Q394 HydrophobicContact CB-CG 3.77Å; M356-Q394 HydrophobicContact CE-CB 4.32Å; M356-Q394 HydrophobicContact CE-CG 4.44Å; M356-Q394 HydrophobicContact SD-CB 4.22Å; K357-Q394 HydrophobicContact CG-CG 4.02Å; M360-Q394 HydrophobicContact SD-CB 3.9Å; M360-Q394 HydrophobicContact SD-CG 4.31Å; M390-Q394 WeakPolarHBondContact O-CB 3.4Å; M390-Q394 PolarHBondContact O-N 3.22Å; A391-Q394 PolarHBondContact O-N 2.77Å; M392-Q394 PolarHBondContact O-N 3.05Å; Q394-V396 PolarHBondContact O-N 3.17Å; Q394-T397 PolarHBondContact O-N 3.35Å; Q394-E398 WeakPolarHBondContact O-CB 3.48Å; Q394-E398 PolarHBondContact O-N 3.12Å
395	Y	98.9	Very high	98.8	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-43.6	-178.7	-178.3	-107	0	0	0	112.5	A391 M392 S399 V585 R588 A589 E603 L606	A391-Y395 VanDerWaalsContact O-CB 3.26Å; A391-Y395 WeakPolarHBondContact O-CB 3.18Å; A391-Y395 PolarHBondContact O-N 3.46Å; M392-Y395 PolarHBondContact O-N 2.97Å; Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.25Å; Y395-S399 PolarHBondContact O-N 3Å; Y395-S399 PolarHBondContact O-OG 3.14Å; Y395-V585 HydrophobicContact CD1-CB 4.33Å; Y395-V585 HydrophobicContact CD1-CG1 3.73Å; Y395-V585 HydrophobicContact CE1-CB 3.88Å; Y395-V585 HydrophobicContact CE1-CG1 3.74Å; Y395-R588 HydrophobicContact CE2-CG 4.36Å; Y395-R588 VanDerWaalsContact CE2-NE 3.26Å; Y395-R588 WeakPolarHBondContact OH-CD 3.47Å; Y395-R588 WeakPolarHBondContact OH-CG 3.42Å; Y395-A589 PolarHBondContact OH-N 3.3Å; Y395-E603 HydrophobicContact CE2-CB 4.4Å; Y395-E603 HydrophobicContact CE2-CG 3.73Å; Y395-E603 PolarHBondContact OH-OE2 2.95Å; Y395-L606 HydrophobicContact CD1-CB 4.17Å; Y395-L606 HydrophobicContact CD1-CD1 4.26Å; Y395-L606 HydrophobicContact CD2-CD1 4.09Å; Y395-L606 HydrophobicContact CE1-CB 4.44Å; Y395-L606 HydrophobicContact CG-CD1 3.91Å
396	V	98.9	Very high	98.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.6	174.4	0	0	0	0	110.7	M392 Q394 S399 M400 F425 A581 V585 W610	M392-V396 VanDerWaalsContact O-CG2 3.23Å; M392-V396 WeakPolarHBondContact O-CG2 3.27Å; M392-V396 PolarHBondContact O-N 3.06Å; Q394-V396 PolarHBondContact O-N 3.17Å; V396-S399 PolarHBondContact O-N 3.15Å; V396-M400 HydrophobicContact CG1-CE 3.82Å; V396-M400 HydrophobicContact CG1-CG 4.48Å; V396-M400 HydrophobicContact CG1-SD 4.45Å; V396-M400 WeakPolarHBondContact O-CG 3.42Å; V396-M400 PolarHBondContact O-N 3.48Å; V396-F425 HydrophobicContact CB-CE1 3.6Å; V396-F425 HydrophobicContact CB-CZ 3.69Å; V396-F425 HydrophobicContact CG1-CD1 3.95Å; V396-F425 HydrophobicContact CG1-CE1 3.32Å; V396-F425 HydrophobicContact CG1-CE2 4.01Å; V396-F425 HydrophobicContact CG1-CZ 3.35Å; V396-F425 HydrophobicContact CG2-CZ 4.28Å; V396-A581 HydrophobicContact CG1-CB 3.66Å; V396-V585 HydrophobicContact CB-CG1 4.21Å; V396-V585 HydrophobicContact CG2-CG1 3.54Å; V396-W610 HydrophobicContact CG2-CD2 3.64Å; V396-W610 HydrophobicContact CG2-CE3 3.98Å; V396-W610 HydrophobicContact CG2-CG 4.01Å; V396-W610 HydrophobicContact CG2-CZ2 4.21Å; V396-W610 HydrophobicContact CG2-CZ3 4.39Å
397	T	98.9	Very high	98.7	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-46.9	-177	-64.1	0	0	0	0	112	A349 M356 L393 Q394 S399 M400 A401 F425 A426	A349-T397 HydrophobicContact CB-CG2 4.48Å; A349-T397 WeakPolarHBondContact O-CG2 3.11Å; M356-T397 VanDerWaalsContact CE-CB 3.43Å; M356-T397 HydrophobicContact CE-CG2 3.51Å; M356-T397 WeakPolarHBondContact CE-OG1 3.25Å; L393-T397 WeakPolarHBondContact O-CB 3.47Å; L393-T397 PolarHBondContact O-N 3.37Å; L393-T397 VanDerWaalsContact O-N 3.11Å; L393-T397 PolarHBondContact O-OG1 3.26Å; Q394-T397 PolarHBondContact O-N 3.35Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 3.43Å; T397-M400 PolarHBondContact O-N 3.48Å; T397-A401 PolarHBondContact O-N 2.96Å; T397-F425 WeakPolarHBondContact OG1-CD1 3.4Å; T397-F425 VanDerWaalsContact OG1-CE1 3.31Å; T397-F425 WeakPolarHBondContact OG1-CE1 3.48Å; T397-A426 HydrophobicContact CG2-CB 3.44Å; T397-A426 VanDerWaalsContact CG2-CB 3.44Å
398	E	98.9	Very high	98.7	Very high	22 Å²	22	15.9 Å²	15.9	10%	0.103	8%	0.082	C	C	.	.	H	α-helix	trans	-58.7	-47.5	174.8	-171.1	-178.6	-136.1	0	0	110.5	S353 K357 Q394 M400 A401 Y402 R588	S353-E398 WeakPolarHBondContact OG-CB 3.28Å; K357-E398 WeakPolarHBondContact CE-OE1 3.3Å; K357-E398 IonicContact NZ-OE1 3.88Å; K357-E398 PolarHBondContact NZ-OE1 3.38Å; Q394-E398 WeakPolarHBondContact O-CB 3.48Å; Q394-E398 PolarHBondContact O-N 3.12Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 2.79Å; E398-A401 PolarHBondContact O-N 3.46Å; E398-A401 VanDerWaalsContact O-N 3.15Å; E398-Y402 HydrophobicContact CG-CD2 3.77Å; E398-Y402 HydrophobicContact CG-CE2 3.85Å; E398-Y402 VanDerWaalsContact O-CD2 3.32Å; E398-Y402 WeakPolarHBondContact O-CD2 3.25Å; E398-Y402 PolarHBondContact O-N 2.77Å; E398-R588 IonicContact OE2-CZ 3.49Å; E398-R588 IonicContact OE2-NH1 2.82Å; E398-R588 PolarHBondContact OE2-NH1 3.13Å; E398-R588 IonicContact OE2-NH2 3.79Å; E398-R588 PolarHBondContact OE2-NH2 3.34Å
399	S	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.9	-38.2	-179.1	-55.9	0	0	0	0	112	Y395 V396 T397 M403 V584 R588	Y395-S399 VanDerWaalsContact O-CB 3.25Å; Y395-S399 WeakPolarHBondContact O-CB 3.25Å; Y395-S399 PolarHBondContact O-N 3Å; Y395-S399 PolarHBondContact O-OG 3.14Å; V396-S399 PolarHBondContact O-N 3.15Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 3.43Å; S399-M403 WeakPolarHBondContact O-CB 3.43Å; S399-M403 PolarHBondContact O-N 3.01Å; S399-V584 VanDerWaalsContact C-CG1 3.42Å; S399-R588 WeakPolarHBondContact OG-CD 3.36Å; S399-R588 PolarHBondContact OG-NH1 2.98Å
400	M	98.9	Very high	98.4	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-46.3	174.2	-72.9	-173.6	178.8	0	0	111.8	V396 T397 E398 Y402 M403 I404 I421 F425 Y580 A581 V584	V396-M400 HydrophobicContact CG1-CE 3.82Å; V396-M400 HydrophobicContact CG1-CG 4.48Å; V396-M400 HydrophobicContact CG1-SD 4.45Å; V396-M400 WeakPolarHBondContact O-CG 3.42Å; V396-M400 PolarHBondContact O-N 3.48Å; T397-M400 PolarHBondContact O-N 3.48Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 2.79Å; M400-Y402 VanDerWaalsContact C-N 3.33Å; M400-Y402 PolarHBondContact O-N 3.02Å; M400-M403 PolarHBondContact O-N 3.31Å; M400-I404 WeakPolarHBondContact O-CB 3.25Å; M400-I404 WeakPolarHBondContact O-CD1 3.37Å; M400-I404 VanDerWaalsContact O-CG1 3.29Å; M400-I404 WeakPolarHBondContact O-CG1 3.49Å; M400-I404 PolarHBondContact O-N 3.03Å; M400-I421 HydrophobicContact CE-CG2 3.93Å; M400-I421 HydrophobicContact SD-CG2 4.18Å; M400-F425 HydrophobicContact CE-CB 4.39Å; M400-F425 HydrophobicContact CE-CD2 4.37Å; M400-F425 HydrophobicContact CE-CG 4.17Å; M400-F425 HydrophobicContact SD-CB 4.03Å; M400-F425 HydrophobicContact SD-CD1 4.26Å; M400-F425 HydrophobicContact SD-CG 4.15Å; M400-Y580 HydrophobicContact CE-CD1 3.92Å; M400-Y580 HydrophobicContact CG-CD1 4.4Å; M400-Y580 HydrophobicContact CG-CE1 4.17Å; M400-Y580 HydrophobicContact SD-CD1 4.29Å; M400-Y580 HydrophobicContact SD-CE1 4.49Å; M400-A581 VanDerWaalsContact CE-CA 3.42Å; M400-A581 HydrophobicContact CE-CB 3.5Å; M400-A581 VanDerWaalsContact CE-CB 3.5Å; M400-V584 HydrophobicContact CG-CB 4.48Å; M400-V584 HydrophobicContact CG-CG1 4.04Å; M400-V584 HydrophobicContact CG-CG2 4.18Å
401	A	98.8	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.6	-45.6	-179.6	0	0	0	0	0	111.8	A349 A350 T397 E398 S405	A349-A401 HydrophobicContact CB-CB 3.79Å; A350-A401 HydrophobicContact CB-CB 4.13Å; T397-A401 PolarHBondContact O-N 2.96Å; E398-A401 PolarHBondContact O-N 3.46Å; E398-A401 VanDerWaalsContact O-N 3.15Å; A401-S405 WeakPolarHBondContact O-CB 3.47Å; A401-S405 PolarHBondContact O-N 3.21Å; A401-S405 PolarHBondContact O-OG 3.35Å
402	Y	98.8	Very high	97.9	Very high	42 Å²	42	17.5 Å²	17.5	17%	0.165	11%	0.107	C	C	.	.	H	α-helix	trans	-78	-29.5	-179.6	-77	-85.9	0	0	0	113.5	T162 A165 R166 E398 M400 S405 G406	T162-Y402 HydrophobicContact CG2-CD1 4.01Å; T162-Y402 HydrophobicContact CG2-CE1 4.22Å; A165-Y402 HydrophobicContact CB-CE1 4.37Å; R166-Y402 VanDerWaalsContact CA-OH 3.25Å; R166-Y402 WeakPolarHBondContact CA-OH 3.44Å; R166-Y402 VanDerWaalsContact CD-OH 3.29Å; R166-Y402 WeakPolarHBondContact CD-OH 3.42Å; E398-Y402 HydrophobicContact CG-CD2 3.77Å; E398-Y402 HydrophobicContact CG-CE2 3.85Å; E398-Y402 VanDerWaalsContact O-CD2 3.32Å; E398-Y402 WeakPolarHBondContact O-CD2 3.25Å; E398-Y402 PolarHBondContact O-N 2.77Å; M400-Y402 VanDerWaalsContact C-N 3.33Å; M400-Y402 PolarHBondContact O-N 3.02Å; Y402-S405 WeakPolarHBondContact CA-OG 3.47Å; Y402-S405 PolarHBondContact O-OG 3.29Å; Y402-G406 PolarHBondContact O-N 3.38Å
403	M	98.8	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.1	-46.4	170.8	-177.5	167.9	-64.2	0	0	111.4	V91 F94 S399 M400 G406 N407 Y580 V584	V91-M403 HydrophobicContact CB-CE 4.49Å; V91-M403 HydrophobicContact CB-SD 4.2Å; V91-M403 HydrophobicContact CG1-CE 3.87Å; V91-M403 HydrophobicContact CG1-SD 3.97Å; V91-M403 HydrophobicContact CG2-SD 4.01Å; F94-M403 HydrophobicContact CD2-CE 3.59Å; F94-M403 HydrophobicContact CE2-CB 4.14Å; F94-M403 HydrophobicContact CE2-CE 3.77Å; F94-M403 HydrophobicContact CZ-CB 4.37Å; S399-M403 WeakPolarHBondContact O-CB 3.43Å; S399-M403 PolarHBondContact O-N 3.01Å; M400-M403 PolarHBondContact O-N 3.31Å; M403-G406 PolarHBondContact O-N 3.42Å; M403-N407 WeakPolarHBondContact O-CB 3.22Å; M403-N407 PolarHBondContact O-N 2.96Å; M403-N407 PolarHBondContact O-ND2 3Å; M403-Y580 HydrophobicContact SD-CE2 4.31Å; M403-V584 HydrophobicContact CE-CB 4.16Å; M403-V584 HydrophobicContact CE-CG1 4.21Å; M403-V584 HydrophobicContact CE-CG2 3.96Å; M403-V584 HydrophobicContact SD-CB 4.4Å; M403-V584 HydrophobicContact SD-CG2 3.55Å; M403-V584 VanDerWaalsContact SD-CG2 3.55Å
404	I	98.5	Very high	97.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-45.2	-177.2	-65.3	162	0	0	0	110.8	F346 M400 G406 N407 M408 F415 E418 S422	F346-I404 HydrophobicContact CB-CB 4.2Å; F346-I404 HydrophobicContact CB-CG2 3.76Å; M400-I404 WeakPolarHBondContact O-CB 3.25Å; M400-I404 WeakPolarHBondContact O-CD1 3.37Å; M400-I404 VanDerWaalsContact O-CG1 3.29Å; M400-I404 WeakPolarHBondContact O-CG1 3.49Å; M400-I404 PolarHBondContact O-N 3.03Å; I404-G406 VanDerWaalsContact C-N 3.32Å; I404-G406 PolarHBondContact O-N 2.78Å; I404-N407 WeakPolarHBondContact O-CB 3.36Å; I404-N407 PolarHBondContact O-N 3.08Å; I404-M408 HydrophobicContact CG2-CG 4.47Å; I404-M408 HydrophobicContact CG2-SD 3.98Å; I404-M408 VanDerWaalsContact O-CG 3.28Å; I404-M408 WeakPolarHBondContact O-CG 3.37Å; I404-M408 PolarHBondContact O-N 3.11Å; I404-F415 HydrophobicContact CG2-CD2 4.41Å; I404-E418 HydrophobicContact CD1-CB 4.29Å; I404-E418 WeakPolarHBondContact CD1-O 3.33Å; I404-E418 HydrophobicContact CG1-CB 4.23Å; I404-S422 VanDerWaalsContact CD1-CB 3.42Å; I404-S422 WeakPolarHBondContact CD1-OG 3.34Å
405	S	98.6	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-41.8	175.8	57.4	0	0	0	0	112	T162 A401 Y402 N407 M408 D409	T162-S405 PolarHBondContact OG1-OG 2.99Å; T162-S405 VanDerWaalsContact OG1-OG 3.11Å; A401-S405 WeakPolarHBondContact O-CB 3.47Å; A401-S405 PolarHBondContact O-N 3.21Å; A401-S405 PolarHBondContact O-OG 3.35Å; Y402-S405 WeakPolarHBondContact CA-OG 3.47Å; Y402-S405 PolarHBondContact O-OG 3.29Å; S405-N407 VanDerWaalsContact C-N 3.35Å; S405-N407 PolarHBondContact O-N 2.73Å; S405-M408 WeakPolarHBondContact O-CB 3.3Å; S405-M408 PolarHBondContact O-N 3.41Å; S405-D409 PolarHBondContact O-N 2.72Å
406	G	98.1	Very high	97	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-37	175.2	0	0	0	0	0	113.3	T162 Y402 M403 I404 D409 S410	T162-G406 PolarHBondContact OG1-N 3.28Å; Y402-G406 PolarHBondContact O-N 3.38Å; M403-G406 PolarHBondContact O-N 3.42Å; I404-G406 VanDerWaalsContact C-N 3.32Å; I404-G406 PolarHBondContact O-N 2.78Å; G406-D409 PolarHBondContact O-N 3.4Å; G406-S410 WeakPolarHBondContact O-CB 3.23Å; G406-S410 PolarHBondContact O-N 2.84Å; G406-S410 PolarHBondContact O-OG 2.9Å
407	N	97.6	Very high	96.9	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.059	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-41.6	172.9	-74.6	-22.6	0	0	0	111.7	Q90 M403 I404 S405 S410 G411 A412	Q90-N407 PolarHBondContact O-ND2 2.71Å; Q90-N407 PolarHBondContact O-OD1 3.19Å; Q90-N407 VanDerWaalsContact O-OD1 3.11Å; M403-N407 WeakPolarHBondContact O-CB 3.22Å; M403-N407 PolarHBondContact O-N 2.96Å; M403-N407 PolarHBondContact O-ND2 3Å; I404-N407 WeakPolarHBondContact O-CB 3.36Å; I404-N407 PolarHBondContact O-N 3.08Å; S405-N407 VanDerWaalsContact C-N 3.35Å; S405-N407 PolarHBondContact O-N 2.73Å; N407-S410 CarbonylContact O-C 3.52Å; N407-S410 PolarHBondContact O-N 3.21Å; N407-G411 PolarHBondContact O-N 3.46Å; N407-A412 HydrophobicContact CB-CB 4.02Å; N407-A412 WeakPolarHBondContact O-CB 3.39Å; N407-A412 PolarHBondContact O-N 3.2Å
408	M	97.7	Very high	96.9	Very high	19 Å²	19	28.8 Å²	28.8	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-45.3	176.8	-69.1	170.1	63.7	0	0	111.6	N161 N343 F346 I404 S405 S410 G411 F415	N161-M408 HydrophobicContact CB-CB 4.44Å; N343-M408 VanDerWaalsContact ND2-CE 3.25Å; N343-M408 WeakPolarHBondContact ND2-CE 3.33Å; F346-M408 HydrophobicContact CD1-CE 3.74Å; F346-M408 HydrophobicContact CD1-SD 3.44Å; F346-M408 WeakPolarHBondContact CD1-SD 3.15Å; F346-M408 HydrophobicContact CE1-CE 3.59Å; F346-M408 HydrophobicContact CE1-SD 3.86Å; F346-M408 HydrophobicContact CG-SD 4.11Å; I404-M408 HydrophobicContact CG2-CG 4.47Å; I404-M408 HydrophobicContact CG2-SD 3.98Å; I404-M408 VanDerWaalsContact O-CG 3.28Å; I404-M408 WeakPolarHBondContact O-CG 3.37Å; I404-M408 PolarHBondContact O-N 3.11Å; S405-M408 WeakPolarHBondContact O-CB 3.3Å; S405-M408 PolarHBondContact O-N 3.41Å; M408-S410 PolarHBondContact O-N 3.44Å; M408-G411 PolarHBondContact O-N 3.2Å; M408-F415 HydrophobicContact CE-CE2 4.37Å; M408-F415 HydrophobicContact CE-CZ 4.23Å; M408-F415 HydrophobicContact CG-CD1 4.27Å; M408-F415 HydrophobicContact CG-CD2 4.26Å; M408-F415 HydrophobicContact CG-CE1 4Å; M408-F415 HydrophobicContact CG-CE2 3.99Å; M408-F415 HydrophobicContact CG-CG 4.4Å; M408-F415 HydrophobicContact CG-CZ 3.86Å; M408-F415 HydrophobicContact SD-CD2 4.4Å; M408-F415 HydrophobicContact SD-CE2 3.9Å; M408-F415 HydrophobicContact SD-CZ 4.16Å
409	D	97.4	Very high	96.9	Very high	50 Å²	50	27.7 Å²	27.7	27%	0.267	15%	0.153	S	C	.	.	H	α-helix	trans	-64	-30.2	176.3	-73.1	-11.7	0	0	0	111.7	A97 S160 N161 T162 S405 G406 G411	A97-D409 HydrophobicContact CB-CB 4.44Å; S160-D409 WeakPolarHBondContact CB-OD2 3.37Å; S160-D409 PolarHBondContact OG-OD2 2.8Å; N161-D409 VanDerWaalsContact CB-OD1 3.25Å; N161-D409 WeakPolarHBondContact CB-OD1 3.4Å; N161-D409 PolarHBondContact N-OD1 3.5Å; N161-D409 PolarHBondContact N-OD2 3.49Å; N161-D409 PolarHBondContact ND2-OD1 3.46Å; T162-D409 WeakPolarHBondContact CB-OD2 3.44Å; T162-D409 PolarHBondContact N-OD2 2.98Å; T162-D409 PolarHBondContact OG1-OD2 3.28Å; S405-D409 PolarHBondContact O-N 2.72Å; G406-D409 PolarHBondContact O-N 3.4Å; D409-G411 PolarHBondContact O-N 2.67Å
410	S	94.8	Very high	96.9	Very high	91 Å²	91	27.7 Å²	27.7	64%	0.636	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	5.5	173	-54.8	0	0	0	0	114	G406 N407 M408	G406-S410 WeakPolarHBondContact O-CB 3.23Å; G406-S410 PolarHBondContact O-N 2.84Å; G406-S410 PolarHBondContact O-OG 2.9Å; N407-S410 CarbonylContact O-C 3.52Å; N407-S410 PolarHBondContact O-N 3.21Å; M408-S410 PolarHBondContact O-N 3.44Å
411	G	93.8	Very high	96.9	Very high	40 Å²	40	27.7 Å²	27.7	41%	0.412	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	16.7	175.3	0	0	0	0	0	115.5	N407 M408 D409 K413	N407-G411 PolarHBondContact O-N 3.46Å; M408-G411 PolarHBondContact O-N 3.2Å; D409-G411 PolarHBondContact O-N 2.67Å; G411-K413 WeakPolarHBondContact O-CE 3.46Å; G411-K413 PolarHBondContact O-N 3.1Å
412	A	93.6	Very high	96.9	Very high	17 Å²	17	27.7 Å²	27.7	14%	0.14	15%	0.153	C	C	.	.			trans	-55.8	134.9	175.4	0	0	0	0	0	111.4	N407 F415	N407-A412 HydrophobicContact CB-CB 4.02Å; N407-A412 WeakPolarHBondContact O-CB 3.39Å; N407-A412 PolarHBondContact O-N 3.2Å; A412-F415 HydrophobicContact CB-CD1 4.33Å; A412-F415 WeakPolarHBondContact O-CD1 3.29Å; A412-F415 WeakPolarHBondContact O-CE1 3.22Å
413	K	89.7	Confident	96.9	Very high	161 Å²	161	25.7 Å²	25.7	70%	0.7	15%	0.145	S	C	*	.	S	Bend	trans	-102.7	-31	178.7	-55.9	-56.7	179.8	-173.5	0	112.9	G411	G411-K413 WeakPolarHBondContact O-CE 3.46Å; G411-K413 PolarHBondContact O-N 3.1Å
414	D	92.7	Very high	96.9	Very high	66 Å²	66	25.7 Å²	25.7	35%	0.353	15%	0.145	S	C	.	.			trans	-105.5	101.7	176.5	-65	-20.6	0	0	0	109	S74 Q90	S74-D414 WeakPolarHBondContact CB-OD2 3.44Å; S74-D414 PolarHBondContact OG-OD2 3.02Å; Q90-D414 PolarHBondContact NE2-O 3.4Å; Q90-D414 PolarHBondContact OE1-O 3.19Å
415	F	96.3	Very high	96.9	Very high	20 Å²	20	26.3 Å²	26.3	9%	0.088	15%	0.148	C	C	.	.			trans	-146.3	10.7	174.6	59	-94.5	0	0	0	112.4	N342 I404 M408 A412 I417 E418 A419	N342-F415 WeakPolarHBondContact ND2-CE2 3.35Å; I404-F415 HydrophobicContact CG2-CD2 4.41Å; M408-F415 HydrophobicContact CE-CE2 4.37Å; M408-F415 HydrophobicContact CE-CZ 4.23Å; M408-F415 HydrophobicContact CG-CD1 4.27Å; M408-F415 HydrophobicContact CG-CD2 4.26Å; M408-F415 HydrophobicContact CG-CE1 4Å; M408-F415 HydrophobicContact CG-CE2 3.99Å; M408-F415 HydrophobicContact CG-CG 4.4Å; M408-F415 HydrophobicContact CG-CZ 3.86Å; M408-F415 HydrophobicContact SD-CD2 4.4Å; M408-F415 HydrophobicContact SD-CE2 3.9Å; M408-F415 HydrophobicContact SD-CZ 4.16Å; A412-F415 HydrophobicContact CB-CD1 4.33Å; A412-F415 WeakPolarHBondContact O-CD1 3.29Å; A412-F415 WeakPolarHBondContact O-CE1 3.22Å; F415-I417 VanDerWaalsContact C-N 3.34Å; F415-I417 PolarHBondContact O-N 3.26Å; F415-E418 WeakPolarHBondContact CA-OE2 3.41Å; F415-E418 PolarHBondContact O-N 3.07Å; F415-A419 HydrophobicContact CD2-CB 4.24Å; F415-A419 WeakPolarHBondContact O-CB 3.33Å; F415-A419 PolarHBondContact O-N 3.42Å
416	Q	97	Very high	97	Very high	60 Å²	60	26.3 Å²	26.3	28%	0.28	15%	0.148	S	C	.	.	H	α-helix	trans	-69.4	-30.8	-169.4	67.1	-175	23.8	0	0	113.8	N342 A420 F475 N479	N342-Q416 WeakPolarHBondContact OD1-CA 3.31Å; N342-Q416 WeakPolarHBondContact OD1-CB 3.42Å; Q416-A420 WeakPolarHBondContact O-CB 3.48Å; Q416-A420 PolarHBondContact O-N 3.31Å; Q416-A420 VanDerWaalsContact O-N 3.13Å; Q416-F475 HydrophobicContact CB-CE1 4.44Å; Q416-F475 HydrophobicContact CB-CZ 4.1Å; Q416-F475 HydrophobicContact CG-CE1 4.3Å; Q416-F475 HydrophobicContact CG-CZ 3.86Å; Q416-F475 WeakPolarHBondContact O-CE1 3.24Å; Q416-N479 PolarHBondContact NE2-OD1 3.45Å
417	I	98.3	Very high	97	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-73.3	-45.5	176.9	-58.7	-179.3	0	0	0	108.8	A78 V79 F415 A419 A420 I421 V476 N479	A78-I417 HydrophobicContact CB-CB 3.85Å; A78-I417 HydrophobicContact CB-CG2 3.59Å; V79-I417 HydrophobicContact CG2-CD1 3.9Å; F415-I417 VanDerWaalsContact C-N 3.34Å; F415-I417 PolarHBondContact O-N 3.26Å; I417-A419 PolarHBondContact O-N 3.12Å; I417-A420 PolarHBondContact O-N 3.14Å; I417-I421 HydrophobicContact CG2-CD1 3.99Å; I417-I421 HydrophobicContact CG2-CG1 4.5Å; I417-I421 WeakPolarHBondContact O-CG1 3.36Å; I417-I421 PolarHBondContact O-N 3.41Å; I417-V476 HydrophobicContact CG2-CB 4.37Å; I417-V476 HydrophobicContact CG2-CG1 3.94Å; I417-V476 HydrophobicContact CG2-CG2 4.17Å; I417-N479 HydrophobicContact CD1-CB 3.92Å; I417-N479 HydrophobicContact CG1-CB 4.07Å
418	E	98.7	Very high	97.1	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-59.2	-45.1	175.4	-66.8	84.6	169.2	0	0	111.7	S76 F77 A78 I404 F415 A420 I421 S422 Y580	S76-E418 WeakPolarHBondContact CB-OE1 3.46Å; S76-E418 PolarHBondContact OG-OE1 3.37Å; S76-E418 PolarHBondContact OG-OE2 2.96Å; F77-E418 PolarHBondContact N-OE1 3.37Å; A78-E418 VanDerWaalsContact CB-CD 3.47Å; A78-E418 HydrophobicContact CB-CG 3.99Å; A78-E418 VanDerWaalsContact CB-OE1 3.29Å; A78-E418 WeakPolarHBondContact CB-OE1 3.48Å; A78-E418 PolarHBondContact N-OE1 2.88Å; I404-E418 HydrophobicContact CD1-CB 4.29Å; I404-E418 WeakPolarHBondContact CD1-O 3.33Å; I404-E418 HydrophobicContact CG1-CB 4.23Å; F415-E418 WeakPolarHBondContact CA-OE2 3.41Å; F415-E418 PolarHBondContact O-N 3.07Å; E418-A420 PolarHBondContact O-N 2.89Å; E418-I421 PolarHBondContact O-N 3.47Å; E418-S422 PolarHBondContact O-N 3.11Å; E418-Y580 HydrophobicContact CB-CE1 3.91Å; E418-Y580 HydrophobicContact CB-CE2 4.29Å; E418-Y580 HydrophobicContact CG-CD2 4.13Å; E418-Y580 HydrophobicContact CG-CE1 4.03Å; E418-Y580 HydrophobicContact CG-CE2 3.51Å; E418-Y580 VanDerWaalsContact CG-CZ 3.45Å
419	A	98.5	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-44.7	175	0	0	0	0	0	112.1	R345 F415 I417 S422 K423	R345-A419 HydrophobicContact CB-CB 4.14Å; F415-A419 HydrophobicContact CD2-CB 4.24Å; F415-A419 WeakPolarHBondContact O-CB 3.33Å; F415-A419 PolarHBondContact O-N 3.42Å; I417-A419 PolarHBondContact O-N 3.12Å; A419-S422 PolarHBondContact O-N 3.29Å; A419-S422 PolarHBondContact O-OG 2.99Å; A419-K423 PolarHBondContact O-N 2.9Å; A419-K423 VanDerWaalsContact O-N 3.1Å
420	A	98.7	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-42.1	175.5	0	0	0	0	0	112.4	Q416 I417 E418 K423 I424 L472 F475 V476	Q416-A420 WeakPolarHBondContact O-CB 3.48Å; Q416-A420 PolarHBondContact O-N 3.31Å; Q416-A420 VanDerWaalsContact O-N 3.13Å; I417-A420 PolarHBondContact O-N 3.14Å; E418-A420 PolarHBondContact O-N 2.89Å; A420-K423 PolarHBondContact O-N 3.48Å; A420-I424 WeakPolarHBondContact O-CD1 3.45Å; A420-I424 VanDerWaalsContact O-CG1 3.27Å; A420-I424 WeakPolarHBondContact O-CG1 3.32Å; A420-I424 PolarHBondContact O-N 3.4Å; A420-L472 HydrophobicContact CB-CD2 4.34Å; A420-F475 HydrophobicContact CB-CD1 3.82Å; A420-F475 HydrophobicContact CB-CE1 4.04Å; A420-V476 HydrophobicContact CB-CG2 3.75Å
421	I	98.9	Very high	97.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-49.5	174.3	-72.8	168.1	0	0	0	110.2	A78 M81 M400 I417 E418 K423 I424 F425 V476 I577 Y580	A78-I421 HydrophobicContact CB-CD1 4.46Å; M81-I421 HydrophobicContact CE-CD1 4.34Å; M400-I421 HydrophobicContact CE-CG2 3.93Å; M400-I421 HydrophobicContact SD-CG2 4.18Å; I417-I421 HydrophobicContact CG2-CD1 3.99Å; I417-I421 HydrophobicContact CG2-CG1 4.5Å; I417-I421 WeakPolarHBondContact O-CG1 3.36Å; I417-I421 PolarHBondContact O-N 3.41Å; E418-I421 PolarHBondContact O-N 3.47Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 2.84Å; I421-I424 PolarHBondContact O-N 3.35Å; I421-F425 VanDerWaalsContact O-CB 3.31Å; I421-F425 WeakPolarHBondContact O-CB 3.46Å; I421-F425 PolarHBondContact O-N 3.26Å; I421-V476 HydrophobicContact CD1-CG1 4.42Å; I421-V476 HydrophobicContact CG1-CG1 4.23Å; I421-V476 HydrophobicContact CG1-CG2 3.98Å; I421-I577 HydrophobicContact CB-CG1 4.35Å; I421-I577 HydrophobicContact CG1-CG1 3.97Å; I421-I577 HydrophobicContact CG2-CB 4.21Å; I421-I577 HydrophobicContact CG2-CG1 4Å; I421-I577 HydrophobicContact CG2-CG2 4.2Å; I421-Y580 HydrophobicContact CB-CD1 4.24Å; I421-Y580 HydrophobicContact CD1-CD1 4.4Å; I421-Y580 HydrophobicContact CD1-CG 4.3Å; I421-Y580 HydrophobicContact CG2-CD1 3.67Å; I421-Y580 HydrophobicContact CG2-CG 4.37Å
422	S	98.9	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-40.1	-179	73.1	0	0	0	0	112.8	I404 E418 A419 A426	I404-S422 VanDerWaalsContact CD1-CB 3.42Å; I404-S422 WeakPolarHBondContact CD1-OG 3.34Å; E418-S422 PolarHBondContact O-N 3.11Å; A419-S422 PolarHBondContact O-N 3.29Å; A419-S422 PolarHBondContact O-OG 2.99Å; S422-A426 WeakPolarHBondContact O-CB 3.41Å; S422-A426 PolarHBondContact O-N 2.8Å
423	K	98.8	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-49.4	176.8	-168.4	-63	-157.1	179.2	0	110.9	R345 M348 A419 A420 I421 S427 F462 F465 G467 N469 L472	R345-K423 HydrophobicContact CG-CB 4.29Å; R345-K423 HydrophobicContact CG-CG 4.2Å; M348-K423 HydrophobicContact SD-CD 3.8Å; M348-K423 HydrophobicContact SD-CG 3.73Å; A419-K423 PolarHBondContact O-N 2.9Å; A419-K423 VanDerWaalsContact O-N 3.1Å; A420-K423 PolarHBondContact O-N 3.48Å; I421-K423 VanDerWaalsContact C-N 3.33Å; I421-K423 PolarHBondContact O-N 2.84Å; K423-S427 WeakPolarHBondContact O-CB 3.35Å; K423-S427 PolarHBondContact O-N 2.98Å; K423-S427 PolarHBondContact O-OG 3.49Å; K423-F462 PolarHBondContact NZ-O 2.99Å; K423-F465 VanDerWaalsContact CE-O 3.25Å; K423-F465 WeakPolarHBondContact CE-O 3.49Å; K423-F465 PolarHBondContact NZ-O 2.98Å; K423-G467 VanDerWaalsContact CE-O 3.24Å; K423-G467 WeakPolarHBondContact CE-O 3.28Å; K423-G467 PolarHBondContact NZ-O 2.82Å; K423-N469 PolarHBondContact NZ-OD1 2.74Å; K423-L472 HydrophobicContact CB-CD1 4.12Å; K423-L472 HydrophobicContact CD-CD1 3.61Å; K423-L472 HydrophobicContact CG-CD1 3.86Å
424	I	98.9	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-53	179.1	-64.1	158.9	0	0	0	109.7	A420 I421 S427 E428 N469 L472 R473 V476 I577	A420-I424 WeakPolarHBondContact O-CD1 3.45Å; A420-I424 VanDerWaalsContact O-CG1 3.27Å; A420-I424 WeakPolarHBondContact O-CG1 3.32Å; A420-I424 PolarHBondContact O-N 3.4Å; I421-I424 PolarHBondContact O-N 3.35Å; I424-S427 PolarHBondContact O-OG 3.27Å; I424-S427 VanDerWaalsContact O-OG 3.08Å; I424-E428 PolarHBondContact O-N 2.87Å; I424-N469 HydrophobicContact CG1-CB 4.31Å; I424-N469 HydrophobicContact CG2-CB 4.33Å; I424-L472 HydrophobicContact CD1-CB 3.63Å; I424-L472 HydrophobicContact CG1-CB 3.72Å; I424-L472 HydrophobicContact CG1-CD1 4.23Å; I424-R473 HydrophobicContact CD1-CG 3.9Å; I424-V476 HydrophobicContact CD1-CG2 4.4Å; I424-I577 HydrophobicContact CB-CD1 4.23Å; I424-I577 HydrophobicContact CD1-CD1 4.06Å; I424-I577 HydrophobicContact CG2-CD1 3.7Å
425	F	98.9	Very high	98.6	Very high	15 Å²	15	16.1 Å²	16.1	7%	0.066	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-53.1	-176.3	-171.8	-86.1	0	0	0	111.3	L393 V396 T397 M400 I421 S427 E428 A429 I577 A581 W610	L393-F425 HydrophobicContact CD2-CE1 4.39Å; L393-F425 HydrophobicContact CD2-CZ 3.87Å; V396-F425 HydrophobicContact CB-CE1 3.6Å; V396-F425 HydrophobicContact CB-CZ 3.69Å; V396-F425 HydrophobicContact CG1-CD1 3.95Å; V396-F425 HydrophobicContact CG1-CE1 3.32Å; V396-F425 HydrophobicContact CG1-CE2 4.01Å; V396-F425 HydrophobicContact CG1-CZ 3.35Å; V396-F425 HydrophobicContact CG2-CZ 4.28Å; T397-F425 WeakPolarHBondContact OG1-CD1 3.4Å; T397-F425 VanDerWaalsContact OG1-CE1 3.31Å; T397-F425 WeakPolarHBondContact OG1-CE1 3.48Å; M400-F425 HydrophobicContact CE-CB 4.39Å; M400-F425 HydrophobicContact CE-CD2 4.37Å; M400-F425 HydrophobicContact CE-CG 4.17Å; M400-F425 HydrophobicContact SD-CB 4.03Å; M400-F425 HydrophobicContact SD-CD1 4.26Å; M400-F425 HydrophobicContact SD-CG 4.15Å; I421-F425 VanDerWaalsContact O-CB 3.31Å; I421-F425 WeakPolarHBondContact O-CB 3.46Å; I421-F425 PolarHBondContact O-N 3.26Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.86Å; F425-E428 PolarHBondContact O-N 3.47Å; F425-A429 HydrophobicContact CD1-CB 4.21Å; F425-A429 HydrophobicContact CE1-CB 4.02Å; F425-A429 WeakPolarHBondContact O-CB 3.5Å; F425-A429 PolarHBondContact O-N 3.24Å; F425-I577 HydrophobicContact CB-CG2 4.27Å; F425-I577 HydrophobicContact CD2-CG2 3.72Å; F425-I577 HydrophobicContact CG-CG2 4.48Å; F425-A581 HydrophobicContact CE2-CB 4.48Å; F425-W610 AromaticContact CE2-CH2 3.43Å; F425-W610 HydrophobicContact CE2-CH2 3.43Å; F425-W610 VanDerWaalsContact CE2-CH2 3.43Å; F425-W610 AromaticContact CE2-CZ2 3.63Å; F425-W610 HydrophobicContact CE2-CZ2 3.63Å; F425-W610 AromaticContact CZ-CH2 3.49Å; F425-W610 HydrophobicContact CZ-CH2 3.49Å; F425-W610 VanDerWaalsContact CZ-CH2 3.49Å; F425-W610 AromaticContact CZ-CZ2 3.87Å; F425-W610 HydrophobicContact CZ-CZ2 3.87Å; F425-W610 HydrophobicContact CZ-CZ3 4.19Å
426	A	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-42	-176.2	0	0	0	0	0	112.6	A349 L352 T397 S422 A429 A430	A349-A426 HydrophobicContact CB-CB 3.85Å; L352-A426 HydrophobicContact CB-CB 4.22Å; L352-A426 HydrophobicContact CD1-CB 3.95Å; T397-A426 HydrophobicContact CG2-CB 3.44Å; T397-A426 VanDerWaalsContact CG2-CB 3.44Å; S422-A426 WeakPolarHBondContact O-CB 3.41Å; S422-A426 PolarHBondContact O-N 2.8Å; A426-A429 PolarHBondContact O-N 3.13Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.34Å; A426-A430 PolarHBondContact O-N 2.9Å
427	S	98.9	Very high	98.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70.3	-31.3	-179.5	58.8	0	0	0	0	113.4	K423 I424 F425 W431 F462 N469	K423-S427 WeakPolarHBondContact O-CB 3.35Å; K423-S427 PolarHBondContact O-N 2.98Å; K423-S427 PolarHBondContact O-OG 3.49Å; I424-S427 PolarHBondContact O-OG 3.27Å; I424-S427 VanDerWaalsContact O-OG 3.08Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.86Å; S427-W431 WeakPolarHBondContact O-CB 3.44Å; S427-W431 PolarHBondContact O-N 2.99Å; S427-F462 WeakPolarHBondContact CB-O 3.44Å; S427-N469 PolarHBondContact OG-ND2 2.93Å; S427-N469 PolarHBondContact OG-OD1 2.96Å
428	E	98.9	Very high	98.9	Very high	48 Å²	48	15.9 Å²	15.9	22%	0.224	8%	0.079	C	C	.	.	H	α-helix	trans	-81.3	-36.7	174.1	-73.5	168.1	-165.1	0	0	112.2	I424 F425 T432 R463 N469 R473	I424-E428 PolarHBondContact O-N 2.87Å; F425-E428 PolarHBondContact O-N 3.47Å; E428-T432 WeakPolarHBondContact O-CB 3.12Å; E428-T432 PolarHBondContact O-N 3.4Å; E428-T432 PolarHBondContact O-OG1 3.32Å; E428-R463 HydrophobicContact CG-CG 4.47Å; E428-N469 PolarHBondContact OE1-ND2 3.08Å; E428-R473 VanDerWaalsContact CD-NH2 3.3Å; E428-R473 IonicContact OE1-CZ 2.86Å; E428-R473 IonicContact OE1-NH1 2.73Å; E428-R473 PolarHBondContact OE1-NH1 3.02Å; E428-R473 IonicContact OE1-NH2 3.01Å; E428-R473 PolarHBondContact OE1-NH2 3.32Å; E428-R473 VanDerWaalsContact OE1-NH2 3.11Å; E428-R473 IonicContact OE2-CZ 3.75Å; E428-R473 IonicContact OE2-NH1 2.85Å; E428-R473 IonicContact OE2-NH2 3.64Å; E428-R473 PolarHBondContact OE2-NH2 3.48Å
429	A	98.9	Very high	98.9	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-54.2	174	0	0	0	0	0	110.9	M356 L393 F425 A426 W431 T432 V433	M356-A429 HydrophobicContact CE-CB 4.34Å; M356-A429 HydrophobicContact SD-CB 3.92Å; L393-A429 HydrophobicContact CB-CB 4.07Å; L393-A429 HydrophobicContact CD2-CB 4.08Å; F425-A429 HydrophobicContact CD1-CB 4.21Å; F425-A429 HydrophobicContact CE1-CB 4.02Å; F425-A429 WeakPolarHBondContact O-CB 3.5Å; F425-A429 PolarHBondContact O-N 3.24Å; A426-A429 PolarHBondContact O-N 3.13Å; A429-W431 VanDerWaalsContact C-N 3.31Å; A429-W431 PolarHBondContact O-N 3.36Å; A429-T432 PolarHBondContact O-N 3.42Å; A429-T432 VanDerWaalsContact O-N 3.11Å; A429-V433 WeakPolarHBondContact O-CB 3.47Å; A429-V433 VanDerWaalsContact O-CG2 3.3Å; A429-V433 WeakPolarHBondContact O-CG2 3.42Å; A429-V433 PolarHBondContact O-N 3.03Å
430	A	98.9	Very high	98.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-37.9	-179.3	0	0	0	0	0	112.7	L352 M356 A426 T434 L459	L352-A430 HydrophobicContact CB-CB 4.03Å; L352-A430 HydrophobicContact CD2-CB 4.02Å; L352-A430 HydrophobicContact CG-CB 4.43Å; M356-A430 HydrophobicContact CG-CB 3.87Å; M356-A430 HydrophobicContact SD-CB 4.24Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.34Å; A426-A430 PolarHBondContact O-N 2.9Å; A430-T434 WeakPolarHBondContact O-CB 3.07Å; A430-T434 PolarHBondContact O-N 2.56Å; A430-T434 PolarHBondContact O-OG1 3.4Å; A430-L459 HydrophobicContact CB-CD1 4.28Å; A430-L459 HydrophobicContact CB-CD2 3.74Å; A430-L459 WeakPolarHBondContact O-CD1 3.43Å
431	W	98.9	Very high	98.9	Very high	57 Å²	57	22.5 Å²	22.5	22%	0.216	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-52	171.4	176	-89.3	0	0	0	111.3	S427 A429 V433 T434 D435 M456 L459 R460	S427-W431 WeakPolarHBondContact O-CB 3.44Å; S427-W431 PolarHBondContact O-N 2.99Å; A429-W431 VanDerWaalsContact C-N 3.31Å; A429-W431 PolarHBondContact O-N 3.36Å; W431-V433 PolarHBondContact O-N 3.24Å; W431-T434 PolarHBondContact O-N 3.27Å; W431-D435 WeakPolarHBondContact O-CB 3.44Å; W431-D435 PolarHBondContact O-N 3.33Å; W431-M456 HydrophobicContact CD2-CE 3.9Å; W431-M456 HydrophobicContact CD2-SD 4.01Å; W431-M456 VanDerWaalsContact CE2-CE 3.46Å; W431-M456 HydrophobicContact CE3-CE 4.01Å; W431-M456 HydrophobicContact CE3-SD 3.68Å; W431-M456 HydrophobicContact CH2-CE 3.36Å; W431-M456 HydrophobicContact CH2-CG 4.39Å; W431-M456 HydrophobicContact CH2-SD 3.86Å; W431-M456 HydrophobicContact CZ2-CE 3.21Å; W431-M456 HydrophobicContact CZ2-SD 4.18Å; W431-M456 HydrophobicContact CZ3-CE 3.74Å; W431-M456 HydrophobicContact CZ3-CG 4.24Å; W431-M456 WeakPolarHBondContact CZ3-O 3.33Å; W431-M456 HydrophobicContact CZ3-SD 3.58Å; W431-M456 VanDerWaalsContact CZ3-SD 3.58Å; W431-L459 HydrophobicContact CE3-CB 4.25Å; W431-R460 HydrophobicContact CH2-CB 4.47Å; W431-R460 HydrophobicContact CZ3-CB 3.78Å; W431-R460 HydrophobicContact CZ3-CG 4.3Å
432	T	98.9	Very high	98.9	Very high	60 Å²	60	24.3 Å²	24.3	37%	0.368	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-43.2	-179.1	-54.9	0	0	0	0	111.7	L393 E428 A429 T434 D435 E436	L393-T432 HydrophobicContact CD1-CG2 4.01Å; E428-T432 WeakPolarHBondContact O-CB 3.12Å; E428-T432 PolarHBondContact O-N 3.4Å; E428-T432 PolarHBondContact O-OG1 3.32Å; A429-T432 PolarHBondContact O-N 3.42Å; A429-T432 VanDerWaalsContact O-N 3.11Å; T432-T434 VanDerWaalsContact C-N 3.35Å; T432-T434 PolarHBondContact O-N 2.97Å; T432-D435 PolarHBondContact O-N 3.4Å; T432-E436 HydrophobicContact CG2-CG 4.48Å; T432-E436 WeakPolarHBondContact O-CB 3.31Å; T432-E436 WeakPolarHBondContact O-CG 3.28Å; T432-E436 PolarHBondContact O-N 2.92Å
433	V	98.9	Very high	98.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-40.6	178.5	170.2	0	0	0	0	111.6	M356 V359 M360 M390 L393 A429 W431 S437	M356-V433 HydrophobicContact CB-CG1 4.07Å; M356-V433 HydrophobicContact CG-CB 3.86Å; M356-V433 HydrophobicContact CG-CG1 3.9Å; M356-V433 HydrophobicContact CG-CG2 4.01Å; M356-V433 HydrophobicContact SD-CB 4.11Å; M356-V433 HydrophobicContact SD-CG2 3.62Å; V359-V433 HydrophobicContact CG2-CG1 3.83Å; M360-V433 HydrophobicContact CG-CG1 3.55Å; M360-V433 HydrophobicContact SD-CG1 4.06Å; M390-V433 HydrophobicContact CB-CG1 4.17Å; M390-V433 HydrophobicContact CB-CG2 4.02Å; M390-V433 HydrophobicContact CG-CB 4.26Å; M390-V433 HydrophobicContact CG-CG1 4.06Å; M390-V433 HydrophobicContact CG-CG2 4.01Å; M390-V433 HydrophobicContact SD-CG1 4.02Å; M390-V433 VanDerWaalsContact SD-O 3.4Å; L393-V433 HydrophobicContact CB-CG2 3.93Å; L393-V433 HydrophobicContact CD1-CG2 3.94Å; A429-V433 WeakPolarHBondContact O-CB 3.47Å; A429-V433 VanDerWaalsContact O-CG2 3.3Å; A429-V433 WeakPolarHBondContact O-CG2 3.42Å; A429-V433 PolarHBondContact O-N 3.03Å; W431-V433 PolarHBondContact O-N 3.24Å; V433-S437 WeakPolarHBondContact O-CB 3.37Å; V433-S437 PolarHBondContact O-N 3.1Å; V433-S437 PolarHBondContact O-OG 3.42Å
434	T	98.9	Very high	98.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-40.8	179.2	-54.4	0	0	0	0	111.6	V359 A430 W431 T432 S437 I438 V452 V455 M456 L459	V359-T434 HydrophobicContact CG1-CG2 4.26Å; A430-T434 WeakPolarHBondContact O-CB 3.07Å; A430-T434 PolarHBondContact O-N 2.56Å; A430-T434 PolarHBondContact O-OG1 3.4Å; W431-T434 PolarHBondContact O-N 3.27Å; T432-T434 VanDerWaalsContact C-N 3.35Å; T432-T434 PolarHBondContact O-N 2.97Å; T434-S437 WeakPolarHBondContact O-CB 3.29Å; T434-S437 PolarHBondContact O-N 3.49Å; T434-I438 WeakPolarHBondContact O-CG1 3.44Å; T434-I438 PolarHBondContact O-N 3.4Å; T434-V452 HydrophobicContact CG2-CG1 3.95Å; T434-V455 HydrophobicContact CG2-CB 4.28Å; T434-V455 HydrophobicContact CG2-CG1 4.17Å; T434-M456 HydrophobicContact CG2-CB 3.89Å; T434-M456 HydrophobicContact CG2-SD 4.23Å; T434-L459 HydrophobicContact CG2-CD1 4.14Å; T434-L459 WeakPolarHBondContact OG1-CD1 3.44Å
435	D	98.9	Very high	98.8	Very high	73 Å²	73	31.3 Å²	31.3	39%	0.39	18%	0.178	S	C	.	.	H	α-helix	trans	-57.6	-48.1	173	-172.7	60.3	0	0	0	111.2	W431 T432 S437 I438 Q439 M456	W431-D435 WeakPolarHBondContact O-CB 3.44Å; W431-D435 PolarHBondContact O-N 3.33Å; T432-D435 PolarHBondContact O-N 3.4Å; D435-S437 VanDerWaalsContact C-N 3.32Å; D435-S437 PolarHBondContact O-N 2.91Å; D435-I438 WeakPolarHBondContact O-CB 3.14Å; D435-I438 PolarHBondContact O-N 2.96Å; D435-Q439 PolarHBondContact O-N 2.76Å; D435-M456 HydrophobicContact CB-CE 3.74Å; D435-M456 HydrophobicContact CB-SD 4.46Å; D435-M456 WeakPolarHBondContact OD1-CE 3.39Å
436	E	98.9	Very high	98.8	Very high	47 Å²	47	38.3 Å²	38.3	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-69.5	-30	178.1	-72.7	-65.9	-174.7	0	0	113.1	K386 M390 T432 Q439 V440	K386-E436 VanDerWaalsContact CD-OE2 3.23Å; K386-E436 WeakPolarHBondContact CD-OE2 3.29Å; K386-E436 WeakPolarHBondContact CE-OE2 3.39Å; K386-E436 IonicContact NZ-OE1 2.77Å; K386-E436 PolarHBondContact NZ-OE1 3.32Å; K386-E436 IonicContact NZ-OE2 2.64Å; K386-E436 PolarHBondContact NZ-OE2 3.3Å; M390-E436 HydrophobicContact CG-CB 4.21Å; M390-E436 HydrophobicContact SD-CB 3.85Å; T432-E436 HydrophobicContact CG2-CG 4.48Å; T432-E436 WeakPolarHBondContact O-CB 3.31Å; T432-E436 WeakPolarHBondContact O-CG 3.28Å; T432-E436 PolarHBondContact O-N 2.92Å; E436-Q439 PolarHBondContact O-N 3.35Å; E436-V440 VanDerWaalsContact O-CG2 3.29Å; E436-V440 WeakPolarHBondContact O-CG2 3.46Å; E436-V440 PolarHBondContact O-N 3.35Å
437	S	98.9	Very high	98.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-42.7	171.1	-63.5	0	0	0	0	111.3	V433 T434 D435 Q439 V440 M441	V433-S437 WeakPolarHBondContact O-CB 3.37Å; V433-S437 PolarHBondContact O-N 3.1Å; V433-S437 PolarHBondContact O-OG 3.42Å; T434-S437 WeakPolarHBondContact O-CB 3.29Å; T434-S437 PolarHBondContact O-N 3.49Å; D435-S437 VanDerWaalsContact C-N 3.32Å; D435-S437 PolarHBondContact O-N 2.91Å; S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.42Å; S437-V440 PolarHBondContact O-N 3.08Å; S437-M441 VanDerWaalsContact O-CG 3.24Å; S437-M441 WeakPolarHBondContact O-CG 3.33Å; S437-M441 PolarHBondContact O-N 3.35Å; S437-M441 VanDerWaalsContact O-N 3.14Å
438	I	98.9	Very high	98.8	Very high	30 Å²	30	49.5 Å²	49.5	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-45.7	172.3	-67.2	172.8	0	0	0	110	T434 D435 V440 M441 G442 V452 M456	T434-I438 WeakPolarHBondContact O-CG1 3.44Å; T434-I438 PolarHBondContact O-N 3.4Å; D435-I438 WeakPolarHBondContact O-CB 3.14Å; D435-I438 PolarHBondContact O-N 2.96Å; I438-V440 PolarHBondContact O-N 2.67Å; I438-M441 CarbonylContact O-C 3.49Å; I438-M441 PolarHBondContact O-N 3.12Å; I438-M441 VanDerWaalsContact O-N 3.13Å; I438-G442 PolarHBondContact O-N 3.04Å; I438-V452 HydrophobicContact CD1-CG1 4.3Å; I438-V452 HydrophobicContact CG1-CB 4.26Å; I438-V452 HydrophobicContact CG1-CG1 3.56Å; I438-M456 HydrophobicContact CD1-CB 3.96Å; I438-M456 HydrophobicContact CD1-CG 4.1Å
439	Q	98.9	Very high	98.7	Very high	122 Å²	122	55 Å²	55	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-40.5	-178.4	-168.3	61	35.5	0	0	112.7	D435 E436 S437 M441 G442	D435-Q439 PolarHBondContact O-N 2.76Å; E436-Q439 PolarHBondContact O-N 3.35Å; S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.42Å; Q439-M441 VanDerWaalsContact C-N 3.31Å; Q439-M441 PolarHBondContact O-N 3.4Å; Q439-G442 PolarHBondContact O-N 2.93Å
440	V	98.8	Very high	98.6	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-38.9	174.3	168.3	0	0	0	0	111.3	A363 H366 A367 I377 I383 K386 M387 M390 E436 S437 I438 G442	A363-V440 HydrophobicContact CB-CB 4.43Å; A363-V440 HydrophobicContact CB-CG1 4.33Å; H366-V440 PolarHBondContact CD2-O 2.92Å; A367-V440 HydrophobicContact CB-CG1 4.07Å; I377-V440 HydrophobicContact CD1-CG1 4.47Å; I383-V440 HydrophobicContact CD1-CG2 4.42Å; K386-V440 HydrophobicContact CB-CG2 4.3Å; K386-V440 HydrophobicContact CD-CG2 4.1Å; M387-V440 HydrophobicContact CE-CB 4.32Å; M387-V440 HydrophobicContact CE-CG1 3.6Å; M387-V440 HydrophobicContact CE-CG2 3.91Å; M390-V440 HydrophobicContact CE-CG2 4.48Å; E436-V440 VanDerWaalsContact O-CG2 3.29Å; E436-V440 WeakPolarHBondContact O-CG2 3.46Å; E436-V440 PolarHBondContact O-N 3.35Å; S437-V440 PolarHBondContact O-N 3.08Å; I438-V440 PolarHBondContact O-N 2.67Å; V440-G442 VanDerWaalsContact C-N 3.29Å
441	M	98.8	Very high	98.6	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.059	30%	0.302	C	S	.	.	H	α-helix	trans	-79.6	-10.2	179.5	-64.4	169.8	72.5	0	0	113.6	K362 H366 S437 I438 Q439 M444 V452	K362-M441 HydrophobicContact CB-SD 4.45Å; H366-M441 HydrophobicContact CB-CG 3.94Å; S437-M441 VanDerWaalsContact O-CG 3.24Å; S437-M441 WeakPolarHBondContact O-CG 3.33Å; S437-M441 PolarHBondContact O-N 3.35Å; S437-M441 VanDerWaalsContact O-N 3.14Å; I438-M441 CarbonylContact O-C 3.49Å; I438-M441 PolarHBondContact O-N 3.12Å; I438-M441 VanDerWaalsContact O-N 3.13Å; Q439-M441 VanDerWaalsContact C-N 3.31Å; Q439-M441 PolarHBondContact O-N 3.4Å; M441-M444 HydrophobicContact CE-CE 3.49Å; M441-M444 VanDerWaalsContact CE-CE 3.49Å; M441-M444 WeakPolarHBondContact O-CB 3.22Å; M441-M444 PolarHBondContact O-N 3.28Å; M441-V452 HydrophobicContact CE-CG2 4.05Å; M441-V452 HydrophobicContact SD-CG2 3.77Å
442	G	98.7	Very high	98.6	Very high	37 Å²	37	53.6 Å²	53.6	38%	0.381	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	56.1	-136.5	-177.6	0	0	0	0	0	112.3	I438 Q439 V440 M444 G445	I438-G442 PolarHBondContact O-N 3.04Å; Q439-G442 PolarHBondContact O-N 2.93Å; V440-G442 VanDerWaalsContact C-N 3.29Å; G442-M444 PolarHBondContact O-N 3.22Å; G442-G445 PolarHBondContact O-N 3.47Å
443	G	98.5	Very high	98.6	Very high	57 Å²	57	52.6 Å²	52.6	59%	0.588	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-56.1	-27.8	-179.4	0	0	0	0	0	114.2	F446 M447	G443-F446 PolarHBondContact O-N 3.47Å; G443-M447 WeakPolarHBondContact O-CE 3.19Å; G443-M447 WeakPolarHBondContact O-CG 3.07Å
444	M	98.5	Very high	98.6	Very high	91 Å²	91	53.4 Å²	53.4	45%	0.448	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-69.2	-33.7	177.5	-168.7	173.4	82.9	0	0	112.4	H366 M441 G442 F446 M447 S450	H366-M444 WeakPolarHBondContact ND1-CE 3.08Å; M441-M444 HydrophobicContact CE-CE 3.49Å; M441-M444 VanDerWaalsContact CE-CE 3.49Å; M441-M444 WeakPolarHBondContact O-CB 3.22Å; M441-M444 PolarHBondContact O-N 3.28Å; G442-M444 PolarHBondContact O-N 3.22Å; M444-F446 PolarHBondContact O-N 2.92Å; M444-M447 PolarHBondContact O-N 3.15Å; M444-M447 VanDerWaalsContact O-N 3.11Å; M444-S450 WeakPolarHBondContact O-CB 3.48Å; M444-S450 PolarHBondContact O-OG 2.91Å
445	G	98.5	Very high	98.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.4	-22.9	176.9	0	0	0	0	0	113.4	G442	G442-G445 PolarHBondContact O-N 3.47Å
446	F	98.7	Very high	98.6	Very high	162 Å²	162	51.8 Å²	51.8	71%	0.711	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-82.5	-18	175	-172	-104.9	0	0	0	113.1	G443 M444	G443-F446 PolarHBondContact O-N 3.47Å; M444-F446 PolarHBondContact O-N 2.92Å
447	M	98.7	Very high	98.6	Very high	101 Å²	101	51.4 Å²	51.4	50%	0.498	27%	0.274	S	S	.	.	S	Bend	trans	-79.8	138.8	-177.7	-60.7	-57.8	133.3	0	0	111.2	G443 M444 D449 S450	G443-M447 WeakPolarHBondContact O-CE 3.19Å; G443-M447 WeakPolarHBondContact O-CG 3.07Å; M444-M447 PolarHBondContact O-N 3.15Å; M444-M447 VanDerWaalsContact O-N 3.11Å; M447-D449 VanDerWaalsContact C-N 3.25Å; M447-D449 PolarHBondContact O-N 2.77Å; M447-S450 WeakPolarHBondContact O-CB 3.17Å; M447-S450 PolarHBondContact O-N 3.44Å; M447-S450 VanDerWaalsContact O-N 3.12Å; M447-S450 PolarHBondContact O-OG 3.47Å
448	K	98.4	Very high	98.6	Very high	133 Å²	133	51.5 Å²	51.5	58%	0.578	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-53.6	-40.9	-179.7	-169.5	-174.2	179.5	-163.4	0	112.7	S450 G451	K448-S450 PolarHBondContact O-N 3.36Å; K448-S450 VanDerWaalsContact O-N 3.16Å; K448-G451 PolarHBondContact O-N 3.48Å
449	D	97.4	Very high	98.6	Very high	164 Å²	164	50.1 Å²	50.1	88%	0.877	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22	-176.5	-62.4	-11.9	0	0	0	113.3	M447 G451	M447-D449 VanDerWaalsContact C-N 3.25Å; M447-D449 PolarHBondContact O-N 2.77Å; D449-G451 PolarHBondContact O-N 2.94Å
450	S	97.3	Very high	98.6	Very high	19 Å²	19	48.5 Å²	48.5	13%	0.133	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67	-26.6	172.6	73.4	0	0	0	0	112.6	K362 M444 M447 K448 V452	K362-S450 PolarHBondContact NZ-O 3.23Å; M444-S450 WeakPolarHBondContact O-CB 3.48Å; M444-S450 PolarHBondContact O-OG 2.91Å; M447-S450 WeakPolarHBondContact O-CB 3.17Å; M447-S450 PolarHBondContact O-N 3.44Å; M447-S450 VanDerWaalsContact O-N 3.12Å; M447-S450 PolarHBondContact O-OG 3.47Å; K448-S450 PolarHBondContact O-N 3.36Å; K448-S450 VanDerWaalsContact O-N 3.16Å; S450-V452 PolarHBondContact O-N 2.92Å; S450-V452 VanDerWaalsContact O-N 3.12Å; S450-V452 PolarHBondContact OG-N 3.34Å
451	G	98.3	Very high	98.6	Very high	11 Å²	11	50.9 Å²	50.9	11%	0.113	27%	0.268	C	S	.	.	S	Bend	trans	66.2	-1.5	-171.9	0	0	0	0	0	115.2	K448 D449 V455	K448-G451 PolarHBondContact O-N 3.48Å; D449-G451 PolarHBondContact O-N 2.94Å; G451-V455 PolarHBondContact O-N 3.03Å
452	V	98.6	Very high	98.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-75.1	-37.3	-179.6	-173.9	0	0	0	0	110.8	K362 T434 I438 M441 S450 R454 V455 M456	K362-V452 HydrophobicContact CD-CG2 3.76Å; T434-V452 HydrophobicContact CG2-CG1 3.95Å; I438-V452 HydrophobicContact CD1-CG1 4.3Å; I438-V452 HydrophobicContact CG1-CB 4.26Å; I438-V452 HydrophobicContact CG1-CG1 3.56Å; M441-V452 HydrophobicContact CE-CG2 4.05Å; M441-V452 HydrophobicContact SD-CG2 3.77Å; S450-V452 PolarHBondContact O-N 2.92Å; S450-V452 VanDerWaalsContact O-N 3.12Å; S450-V452 PolarHBondContact OG-N 3.34Å; V452-R454 PolarHBondContact O-N 3.39Å; V452-V455 PolarHBondContact O-N 3.39Å; V452-V455 VanDerWaalsContact O-N 3.16Å; V452-M456 PolarHBondContact O-N 3.03Å
453	E	98.7	Very high	98.6	Very high	39 Å²	39	52.3 Å²	52.3	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-37.8	173.8	74.1	77.8	-157.6	0	0	112.1	M456 R457	E453-M456 WeakPolarHBondContact O-CB 3.35Å; E453-M456 PolarHBondContact O-N 2.86Å; E453-R457 WeakPolarHBondContact O-CG 3.24Å; E453-R457 PolarHBondContact O-N 3.01Å; E453-R457 IonicContact OE1-CZ 2.73Å; E453-R457 IonicContact OE1-NE 3.58Å; E453-R457 IonicContact OE1-NH2 3.72Å; E453-R457 PolarHBondContact OE1-NH2 2.69Å; E453-R457 WeakPolarHBondContact OE2-CD 3.46Å; E453-R457 IonicContact OE2-CZ 3.22Å; E453-R457 IonicContact OE2-NE 2.77Å; E453-R457 PolarHBondContact OE2-NE 3.14Å; E453-R457 IonicContact OE2-NH2 3.44Å
454	R	98.9	Very high	98.6	Very high	17 Å²	17	53 Å²	53	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-49.1	176.4	177.6	-178.7	56.1	72.5	-4.6	110.8	P123 D127 V452 M456 R457 D458	P123-R454 VanDerWaalsContact CG-NH2 3.31Å; D127-R454 HydrophobicContact CB-CG 4.25Å; V452-R454 PolarHBondContact O-N 3.39Å; R454-M456 VanDerWaalsContact C-N 3.27Å; R454-M456 PolarHBondContact O-N 3.35Å; R454-R457 WeakPolarHBondContact O-CB 3.37Å; R454-R457 PolarHBondContact O-N 3.41Å; R454-R457 VanDerWaalsContact O-N 3.12Å; R454-D458 IonicContact NH1-OD2 3.88Å; R454-D458 PolarHBondContact NH1-OD2 2.98Å; R454-D458 PolarHBondContact O-N 2.9Å
455	V	98.9	Very high	98.5	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-60.8	-38.8	177.4	-178.7	0	0	0	0	111	T355 V359 T434 G451 V452 R457 D458 L459	T355-V455 HydrophobicContact CG2-CG1 3.42Å; T355-V455 VanDerWaalsContact CG2-CG1 3.42Å; V359-V455 HydrophobicContact CG1-CB 4.04Å; V359-V455 HydrophobicContact CG1-CG1 3.7Å; V359-V455 HydrophobicContact CG1-CG2 4.16Å; T434-V455 HydrophobicContact CG2-CB 4.28Å; T434-V455 HydrophobicContact CG2-CG1 4.17Å; G451-V455 PolarHBondContact O-N 3.03Å; V452-V455 PolarHBondContact O-N 3.39Å; V452-V455 VanDerWaalsContact O-N 3.16Å; V455-R457 PolarHBondContact O-N 3.01Å; V455-D458 WeakPolarHBondContact O-CB 3.38Å; V455-D458 PolarHBondContact O-N 2.87Å; V455-L459 HydrophobicContact CG1-CD1 3.9Å; V455-L459 HydrophobicContact CG1-CG 4.24Å; V455-L459 WeakPolarHBondContact O-CB 3.3Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.42Å; V455-L459 PolarHBondContact O-N 3.5Å
456	M	98.8	Very high	98.3	Very high	23 Å²	23	52.3 Å²	52.3	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-42.9	174.9	-172.9	60.8	161.9	0	0	112.2	W431 T434 D435 I438 V452 E453 R454 L459	W431-M456 HydrophobicContact CD2-CE 3.9Å; W431-M456 HydrophobicContact CD2-SD 4.01Å; W431-M456 VanDerWaalsContact CE2-CE 3.46Å; W431-M456 HydrophobicContact CE3-CE 4.01Å; W431-M456 HydrophobicContact CE3-SD 3.68Å; W431-M456 HydrophobicContact CH2-CE 3.36Å; W431-M456 HydrophobicContact CH2-CG 4.39Å; W431-M456 HydrophobicContact CH2-SD 3.86Å; W431-M456 HydrophobicContact CZ2-CE 3.21Å; W431-M456 HydrophobicContact CZ2-SD 4.18Å; W431-M456 HydrophobicContact CZ3-CE 3.74Å; W431-M456 HydrophobicContact CZ3-CG 4.24Å; W431-M456 WeakPolarHBondContact CZ3-O 3.33Å; W431-M456 HydrophobicContact CZ3-SD 3.58Å; W431-M456 VanDerWaalsContact CZ3-SD 3.58Å; T434-M456 HydrophobicContact CG2-CB 3.89Å; T434-M456 HydrophobicContact CG2-SD 4.23Å; D435-M456 HydrophobicContact CB-CE 3.74Å; D435-M456 HydrophobicContact CB-SD 4.46Å; D435-M456 WeakPolarHBondContact OD1-CE 3.39Å; I438-M456 HydrophobicContact CD1-CB 3.96Å; I438-M456 HydrophobicContact CD1-CG 4.1Å; V452-M456 PolarHBondContact O-N 3.03Å; E453-M456 WeakPolarHBondContact O-CB 3.35Å; E453-M456 PolarHBondContact O-N 2.86Å; R454-M456 VanDerWaalsContact C-N 3.27Å; R454-M456 PolarHBondContact O-N 3.35Å; M456-L459 PolarHBondContact O-N 3.08Å
457	R	98.9	Very high	98.1	Very high	38 Å²	38	45.9 Å²	45.9	14%	0.143	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-44.5	173.1	-70.4	-175.2	-68.8	107.7	-9.7	111.8	D127 M304 E453 R454 V455 L459	D127-R457 IonicContact OD1-CZ 3.09Å; D127-R457 IonicContact OD1-NH1 3.7Å; D127-R457 PolarHBondContact OD1-NH1 3.06Å; D127-R457 IonicContact OD1-NH2 3.65Å; D127-R457 IonicContact OD2-CZ 3.83Å; D127-R457 IonicContact OD2-NH1 3.53Å; D127-R457 PolarHBondContact OD2-NH1 3.4Å; D127-R457 IonicContact OD2-NH2 3.8Å; D127-R457 PolarHBondContact OD2-NH2 3.09Å; M304-R457 HydrophobicContact CE-CG 4.14Å; M304-R457 HydrophobicContact CG-CB 4.07Å; M304-R457 HydrophobicContact CG-CG 4.1Å; M304-R457 WeakPolarHBondContact O-CD 3.32Å; M304-R457 PolarHBondContact O-NH1 2.64Å; M304-R457 VanDerWaalsContact O-NH1 3.14Å; E453-R457 WeakPolarHBondContact O-CG 3.24Å; E453-R457 PolarHBondContact O-N 3.01Å; E453-R457 IonicContact OE1-CZ 2.73Å; E453-R457 IonicContact OE1-NE 3.58Å; E453-R457 IonicContact OE1-NH2 3.72Å; E453-R457 PolarHBondContact OE1-NH2 2.69Å; E453-R457 WeakPolarHBondContact OE2-CD 3.46Å; E453-R457 IonicContact OE2-CZ 3.22Å; E453-R457 IonicContact OE2-NE 2.77Å; E453-R457 PolarHBondContact OE2-NE 3.14Å; E453-R457 IonicContact OE2-NH2 3.44Å; R454-R457 WeakPolarHBondContact O-CB 3.37Å; R454-R457 PolarHBondContact O-N 3.41Å; R454-R457 VanDerWaalsContact O-N 3.12Å; V455-R457 PolarHBondContact O-N 3.01Å; R457-L459 VanDerWaalsContact C-N 3.34Å; R457-L459 PolarHBondContact O-N 2.9Å
458	D	98.9	Very high	98.1	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-42.2	-179.8	-63.2	-14.6	0	0	0	111.5	L176 G305 I306 R454 V455 R460 I461 F462	L176-D458 HydrophobicContact CB-CB 4.08Å; L176-D458 HydrophobicContact CD1-CB 3.9Å; G305-D458 WeakPolarHBondContact CA-OD1 3.42Å; I306-D458 HydrophobicContact CG2-CB 3.81Å; I306-D458 PolarHBondContact N-OD1 3.07Å; R454-D458 IonicContact NH1-OD2 3.88Å; R454-D458 PolarHBondContact NH1-OD2 2.98Å; R454-D458 PolarHBondContact O-N 2.9Å; V455-D458 WeakPolarHBondContact O-CB 3.38Å; V455-D458 PolarHBondContact O-N 2.87Å; D458-R460 VanDerWaalsContact C-N 3.31Å; D458-R460 PolarHBondContact O-N 3.22Å; D458-I461 WeakPolarHBondContact O-CG2 3.38Å; D458-F462 WeakPolarHBondContact O-CD2 3.09Å
459	L	98.9	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-24.1	-174.4	-78	170.3	0	0	0	114.7	L176 L352 T355 A430 W431 T434 V455 M456 R457 I461 F462	L176-L459 HydrophobicContact CD1-CD2 3.82Å; L176-L459 HydrophobicContact CD1-CG 4.04Å; L352-L459 HydrophobicContact CD2-CD2 3.34Å; T355-L459 HydrophobicContact CG2-CD1 4.29Å; T355-L459 HydrophobicContact CG2-CD2 4.23Å; T355-L459 HydrophobicContact CG2-CG 4.48Å; A430-L459 HydrophobicContact CB-CD1 4.28Å; A430-L459 HydrophobicContact CB-CD2 3.74Å; A430-L459 WeakPolarHBondContact O-CD1 3.43Å; W431-L459 HydrophobicContact CE3-CB 4.25Å; T434-L459 HydrophobicContact CG2-CD1 4.14Å; T434-L459 WeakPolarHBondContact OG1-CD1 3.44Å; V455-L459 HydrophobicContact CG1-CD1 3.9Å; V455-L459 HydrophobicContact CG1-CG 4.24Å; V455-L459 WeakPolarHBondContact O-CB 3.3Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.42Å; V455-L459 PolarHBondContact O-N 3.5Å; M456-L459 PolarHBondContact O-N 3.08Å; R457-L459 VanDerWaalsContact C-N 3.34Å; R457-L459 PolarHBondContact O-N 2.9Å; L459-I461 PolarHBondContact O-N 3.31Å; L459-I461 VanDerWaalsContact O-N 3.14Å; L459-F462 WeakPolarHBondContact O-CB 3.22Å; L459-F462 PolarHBondContact O-N 2.81Å
460	R	98.9	Very high	98.2	Very high	89 Å²	89	33.5 Å²	33.5	34%	0.336	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-59.5	-35.5	-170.8	-176.7	57.8	-169.2	90.3	-2.5	112.8	M304 W431 D458 F462	M304-R460 HydrophobicContact SD-CB 3.96Å; M304-R460 HydrophobicContact SD-CG 4.11Å; W431-R460 HydrophobicContact CH2-CB 4.47Å; W431-R460 HydrophobicContact CZ3-CB 3.78Å; W431-R460 HydrophobicContact CZ3-CG 4.3Å; D458-R460 VanDerWaalsContact C-N 3.31Å; D458-R460 PolarHBondContact O-N 3.22Å; R460-F462 VanDerWaalsContact C-N 3.32Å; R460-F462 PolarHBondContact O-N 3.27Å
461	I	98.8	Very high	98.2	Very high	56 Å²	56	35 Å²	35	29%	0.287	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-72.5	-23.2	-177.9	-166	64.1	0	0	0	113	I306 D458 L459 R463 I464 F465	I306-I461 HydrophobicContact CD1-CG2 3.69Å; I306-I461 HydrophobicContact CG1-CG2 4.18Å; D458-I461 WeakPolarHBondContact O-CG2 3.38Å; L459-I461 PolarHBondContact O-N 3.31Å; L459-I461 VanDerWaalsContact O-N 3.14Å; I461-R463 PolarHBondContact O-N 2.86Å; I461-R463 VanDerWaalsContact O-N 3.13Å; I461-I464 HydrophobicContact CD1-CB 4.16Å; I461-I464 HydrophobicContact CD1-CD1 4.32Å; I461-I464 HydrophobicContact CD1-CG2 4.4Å; I461-I464 WeakPolarHBondContact O-CA 3.11Å; I461-I464 WeakPolarHBondContact O-CB 3.46Å; I461-I464 PolarHBondContact O-N 3.06Å; I461-F465 HydrophobicContact CG1-CB 4.43Å; I461-F465 HydrophobicContact CG1-CD2 4.01Å; I461-F465 HydrophobicContact CG1-CE2 4.47Å; I461-F465 HydrophobicContact CG1-CG 4.14Å; I461-F465 HydrophobicContact CG2-CE2 4.31Å; I461-F465 HydrophobicContact CG2-CZ 4.39Å; I461-F465 WeakPolarHBondContact O-CD1 3.17Å; I461-F465 PolarHBondContact O-N 3.17Å
462	F	98.8	Very high	98.2	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.018	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-65.7	-20.4	-177.5	-74.3	-101.6	0	0	0	113.5	L176 I180 I306 M348 L352 K423 S427 D458 L459 R460 I464 F465	L176-F462 HydrophobicContact CB-CE2 4.39Å; L176-F462 HydrophobicContact CB-CZ 4.36Å; L176-F462 HydrophobicContact CD1-CE2 4.05Å; L176-F462 HydrophobicContact CD1-CZ 4.35Å; L176-F462 HydrophobicContact CD2-CE1 4.41Å; L176-F462 HydrophobicContact CD2-CE2 4.28Å; L176-F462 HydrophobicContact CD2-CZ 3.74Å; L176-F462 HydrophobicContact CG-CE2 4.49Å; L176-F462 HydrophobicContact CG-CZ 4.38Å; I180-F462 HydrophobicContact CD1-CE1 3.87Å; I180-F462 HydrophobicContact CD1-CE2 4.41Å; I180-F462 HydrophobicContact CD1-CZ 3.53Å; I180-F462 HydrophobicContact CG1-CE2 4.49Å; I180-F462 HydrophobicContact CG1-CZ 3.95Å; I306-F462 HydrophobicContact CG2-CE2 4.26Å; M348-F462 HydrophobicContact CE-CD1 4.13Å; M348-F462 HydrophobicContact CG-CD1 3.77Å; M348-F462 HydrophobicContact CG-CE1 4.24Å; M348-F462 HydrophobicContact SD-CD1 3.81Å; L352-F462 HydrophobicContact CD1-CB 4.38Å; L352-F462 HydrophobicContact CD1-CD1 4.02Å; L352-F462 HydrophobicContact CD1-CG 4.45Å; L352-F462 HydrophobicContact CD2-CD1 3.91Å; L352-F462 HydrophobicContact CD2-CE1 4.13Å; L352-F462 HydrophobicContact CD2-CG 4.17Å; L352-F462 HydrophobicContact CG-CD1 4.2Å; K423-F462 PolarHBondContact NZ-O 2.99Å; S427-F462 WeakPolarHBondContact CB-O 3.44Å; D458-F462 WeakPolarHBondContact O-CD2 3.09Å; L459-F462 WeakPolarHBondContact O-CB 3.22Å; L459-F462 PolarHBondContact O-N 2.81Å; R460-F462 VanDerWaalsContact C-N 3.32Å; R460-F462 PolarHBondContact O-N 3.27Å; F462-I464 VanDerWaalsContact C-N 3.3Å; F462-F465 HydrophobicContact CB-CE1 4.18Å; F462-F465 AromaticContact CD1-CE1 3.71Å; F462-F465 HydrophobicContact CD1-CE1 3.71Å; F462-F465 AromaticContact CD1-CZ 3.82Å; F462-F465 HydrophobicContact CD1-CZ 3.82Å; F462-F465 HydrophobicContact CD2-CZ 4.36Å; F462-F465 HydrophobicContact CE1-CE1 4.22Å; F462-F465 AromaticContact CE1-CZ 3.85Å; F462-F465 HydrophobicContact CE1-CZ 3.85Å; F462-F465 HydrophobicContact CE2-CZ 4.38Å; F462-F465 AromaticContact CG-CE1 3.9Å; F462-F465 HydrophobicContact CG-CE1 3.9Å; F462-F465 HydrophobicContact CG-CZ 4.09Å; F462-F465 HydrophobicContact CZ-CZ 4.14Å
463	R	98.9	Very high	98.2	Very high	75 Å²	75	35.4 Å²	35.4	28%	0.283	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-83	-6.3	173.2	-63.6	171.9	59.5	-164	-1.5	113.3	E428 I461 N469	E428-R463 HydrophobicContact CG-CG 4.47Å; I461-R463 PolarHBondContact O-N 2.86Å; I461-R463 VanDerWaalsContact O-N 3.13Å; R463-N469 PolarHBondContact O-N 3.01Å; R463-N469 PolarHBondContact O-OD1 3.43Å
464	I	98.8	Very high	98.2	Very high	71 Å²	71	34.6 Å²	34.6	36%	0.364	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-58	-169.6	-57.6	173.9	0	0	0	111.7	I461 F462 G467 T468	I461-I464 HydrophobicContact CD1-CB 4.16Å; I461-I464 HydrophobicContact CD1-CD1 4.32Å; I461-I464 HydrophobicContact CD1-CG2 4.4Å; I461-I464 WeakPolarHBondContact O-CA 3.11Å; I461-I464 WeakPolarHBondContact O-CB 3.46Å; I461-I464 PolarHBondContact O-N 3.06Å; F462-I464 VanDerWaalsContact C-N 3.3Å; I464-G467 CarbonylContact O-C 3.52Å; I464-T468 HydrophobicContact CG2-CG2 4.31Å; I464-T468 WeakPolarHBondContact O-CA 3.34Å; I464-T468 VanDerWaalsContact O-CG2 3.29Å; I464-T468 WeakPolarHBondContact O-CG2 3.42Å; I464-T468 PolarHBondContact O-N 2.71Å
465	F	97.5	Very high	98.1	Very high	47 Å²	47	35.2 Å²	35.2	21%	0.206	17%	0.173	C	C	.	.	S	Bend	trans	-74.5	176.5	-177.4	72	-1.6	0	0	0	112.2	I180 M348 K423 I461 F462 G467	I180-F465 HydrophobicContact CD1-CE2 3.76Å; I180-F465 HydrophobicContact CD1-CZ 3.59Å; I180-F465 HydrophobicContact CG1-CE2 4.29Å; I180-F465 HydrophobicContact CG1-CZ 4.43Å; M348-F465 HydrophobicContact CE-CD1 4Å; M348-F465 HydrophobicContact CE-CE1 3.28Å; M348-F465 HydrophobicContact CE-CZ 3.99Å; M348-F465 HydrophobicContact SD-CE1 4.17Å; K423-F465 VanDerWaalsContact CE-O 3.25Å; K423-F465 WeakPolarHBondContact CE-O 3.49Å; K423-F465 PolarHBondContact NZ-O 2.98Å; I461-F465 HydrophobicContact CG1-CB 4.43Å; I461-F465 HydrophobicContact CG1-CD2 4.01Å; I461-F465 HydrophobicContact CG1-CE2 4.47Å; I461-F465 HydrophobicContact CG1-CG 4.14Å; I461-F465 HydrophobicContact CG2-CE2 4.31Å; I461-F465 HydrophobicContact CG2-CZ 4.39Å; I461-F465 WeakPolarHBondContact O-CD1 3.17Å; I461-F465 PolarHBondContact O-N 3.17Å; F462-F465 HydrophobicContact CB-CE1 4.18Å; F462-F465 AromaticContact CD1-CE1 3.71Å; F462-F465 HydrophobicContact CD1-CE1 3.71Å; F462-F465 AromaticContact CD1-CZ 3.82Å; F462-F465 HydrophobicContact CD1-CZ 3.82Å; F462-F465 HydrophobicContact CD2-CZ 4.36Å; F462-F465 HydrophobicContact CE1-CE1 4.22Å; F462-F465 AromaticContact CE1-CZ 3.85Å; F462-F465 HydrophobicContact CE1-CZ 3.85Å; F462-F465 HydrophobicContact CE2-CZ 4.38Å; F462-F465 AromaticContact CG-CE1 3.9Å; F462-F465 HydrophobicContact CG-CE1 3.9Å; F462-F465 HydrophobicContact CG-CZ 4.09Å; F462-F465 HydrophobicContact CZ-CZ 4.14Å; F465-G467 CarbonylContact O-C 3.55Å; F465-G467 PolarHBondContact O-N 3.26Å; F465-G467 VanDerWaalsContact O-N 3.12Å; F465-G467 VanDerWaalsContact O-O 3.11Å
466	E	92.9	Very high	98.1	Very high	31 Å²	31	34.5 Å²	34.5	15%	0.145	17%	0.168	C	C	.	.	S	Bend	trans	56.6	28.9	-178.4	-74.6	-84	-177.7	0	0	112.8	I188 L341 M348	I188-E466 WeakPolarHBondContact CG2-OE1 3.18Å; L341-E466 WeakPolarHBondContact CD2-OE2 3.39Å; M348-E466 HydrophobicContact CE-CB 3.71Å; M348-E466 HydrophobicContact CE-CG 3.7Å
467	G	95.3	Very high	98	Very high	26 Å²	26	33.4 Å²	33.4	27%	0.268	16%	0.163	S	C	.	.	S	Bend	trans	88	118.2	-166.2	0	0	0	0	0	111.5	K423 I464 F465 L472	K423-G467 VanDerWaalsContact CE-O 3.24Å; K423-G467 WeakPolarHBondContact CE-O 3.28Å; K423-G467 PolarHBondContact NZ-O 2.82Å; I464-G467 CarbonylContact O-C 3.52Å; F465-G467 CarbonylContact O-C 3.55Å; F465-G467 PolarHBondContact O-N 3.26Å; F465-G467 VanDerWaalsContact O-N 3.12Å; F465-G467 VanDerWaalsContact O-O 3.11Å; G467-L472 WeakPolarHBondContact O-CD1 3.32Å
468	T	98.4	Very high	97.9	Very high	29 Å²	29	31.9 Å²	31.9	18%	0.178	16%	0.157	C	C	.	.			trans	-56.3	142.8	174.3	59.6	0	0	0	0	109.6	I464 D470 I471 L472	I464-T468 HydrophobicContact CG2-CG2 4.31Å; I464-T468 WeakPolarHBondContact O-CA 3.34Å; I464-T468 VanDerWaalsContact O-CG2 3.29Å; I464-T468 WeakPolarHBondContact O-CG2 3.42Å; I464-T468 PolarHBondContact O-N 2.71Å; T468-D470 PolarHBondContact O-N 2.91Å; T468-D470 VanDerWaalsContact O-N 3.08Å; T468-I471 PolarHBondContact O-N 2.81Å; T468-I471 VanDerWaalsContact OG1-CB 3.27Å; T468-I471 WeakPolarHBondContact OG1-CB 3.49Å; T468-I471 WeakPolarHBondContact OG1-CG1 2.76Å; T468-I471 PolarHBondContact OG1-N 3.41Å; T468-L472 PolarHBondContact O-N 3.12Å
469	N	98.8	Very high	97.7	Very high	3 Å²	3	32 Å²	32	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-29.5	-179.4	-72.2	9.7	0	0	0	112.6	K423 I424 S427 E428 R463 L472 R473	K423-N469 PolarHBondContact NZ-OD1 2.74Å; I424-N469 HydrophobicContact CG1-CB 4.31Å; I424-N469 HydrophobicContact CG2-CB 4.33Å; S427-N469 PolarHBondContact OG-ND2 2.93Å; S427-N469 PolarHBondContact OG-OD1 2.96Å; E428-N469 PolarHBondContact OE1-ND2 3.08Å; R463-N469 PolarHBondContact O-N 3.01Å; R463-N469 PolarHBondContact O-OD1 3.43Å; N469-L472 PolarHBondContact O-N 2.99Å; N469-R473 WeakPolarHBondContact O-CG 3.17Å; N469-R473 PolarHBondContact O-N 3.04Å
470	D	98.4	Very high	97.4	Very high	107 Å²	107	32 Å²	32	57%	0.572	16%	0.158	S	C	*	.	H	α-helix	trans	-63.6	-51.2	174.3	-53.8	-74.9	0	0	0	112	T468 L472 R473 L474	T468-D470 PolarHBondContact O-N 2.91Å; T468-D470 VanDerWaalsContact O-N 3.08Å; D470-L472 VanDerWaalsContact C-N 3.33Å; D470-L472 PolarHBondContact O-N 3.5Å; D470-R473 WeakPolarHBondContact O-CB 3.37Å; D470-R473 PolarHBondContact O-N 2.83Å; D470-L474 WeakPolarHBondContact O-CG 3.21Å; D470-L474 PolarHBondContact O-N 3Å; D470-L474 VanDerWaalsContact O-N 3.1Å
471	I	97.9	Very high	97.2	Very high	49 Å²	49	28.1 Å²	28.1	25%	0.251	14%	0.143	S	C	.	.	H	α-helix	trans	-63.3	-38.8	175.9	-65.2	-72.5	0	0	0	111.6	T468 R473 L474 F475	T468-I471 PolarHBondContact O-N 2.81Å; T468-I471 VanDerWaalsContact OG1-CB 3.27Å; T468-I471 WeakPolarHBondContact OG1-CB 3.49Å; T468-I471 WeakPolarHBondContact OG1-CG1 2.76Å; T468-I471 PolarHBondContact OG1-N 3.41Å; I471-R473 VanDerWaalsContact C-N 3.33Å; I471-R473 PolarHBondContact O-N 3.3Å; I471-L474 PolarHBondContact O-N 2.81Å; I471-F475 WeakPolarHBondContact O-CB 3.45Å; I471-F475 PolarHBondContact O-N 3.06Å
472	L	98.3	Very high	96.7	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-34.3	177.1	-66.8	-178.9	0	0	0	112.1	A420 K423 I424 G467 T468 N469 D470 F475 V476	A420-L472 HydrophobicContact CB-CD2 4.34Å; K423-L472 HydrophobicContact CB-CD1 4.12Å; K423-L472 HydrophobicContact CD-CD1 3.61Å; K423-L472 HydrophobicContact CG-CD1 3.86Å; I424-L472 HydrophobicContact CD1-CB 3.63Å; I424-L472 HydrophobicContact CG1-CB 3.72Å; I424-L472 HydrophobicContact CG1-CD1 4.23Å; G467-L472 WeakPolarHBondContact O-CD1 3.32Å; T468-L472 PolarHBondContact O-N 3.12Å; N469-L472 PolarHBondContact O-N 2.99Å; D470-L472 VanDerWaalsContact C-N 3.33Å; D470-L472 PolarHBondContact O-N 3.5Å; L472-F475 WeakPolarHBondContact O-CB 3.41Å; L472-F475 PolarHBondContact O-N 2.64Å; L472-V476 VanDerWaalsContact O-CG2 3.3Å; L472-V476 WeakPolarHBondContact O-CG2 3.19Å; L472-V476 PolarHBondContact O-N 3.43Å
473	R	98.8	Very high	95.9	Very high	18 Å²	18	30.6 Å²	30.6	7%	0.068	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-45.4	170.8	-78.5	178.8	171.1	85	3.2	111.6	I424 E428 N469 D470 I471 F475 V476 A477 A573 D574 I577	I424-R473 HydrophobicContact CD1-CG 3.9Å; E428-R473 VanDerWaalsContact CD-NH2 3.3Å; E428-R473 IonicContact OE1-CZ 2.86Å; E428-R473 IonicContact OE1-NH1 2.73Å; E428-R473 PolarHBondContact OE1-NH1 3.02Å; E428-R473 IonicContact OE1-NH2 3.01Å; E428-R473 PolarHBondContact OE1-NH2 3.32Å; E428-R473 VanDerWaalsContact OE1-NH2 3.11Å; E428-R473 IonicContact OE2-CZ 3.75Å; E428-R473 IonicContact OE2-NH1 2.85Å; E428-R473 IonicContact OE2-NH2 3.64Å; E428-R473 PolarHBondContact OE2-NH2 3.48Å; N469-R473 WeakPolarHBondContact O-CG 3.17Å; N469-R473 PolarHBondContact O-N 3.04Å; D470-R473 WeakPolarHBondContact O-CB 3.37Å; D470-R473 PolarHBondContact O-N 2.83Å; I471-R473 VanDerWaalsContact C-N 3.33Å; I471-R473 PolarHBondContact O-N 3.3Å; R473-F475 VanDerWaalsContact C-N 3.29Å; R473-F475 PolarHBondContact O-N 3.05Å; R473-V476 PolarHBondContact O-N 3.3Å; R473-A477 PolarHBondContact O-N 2.87Å; R473-A573 HydrophobicContact CB-CB 3.63Å; R473-A573 HydrophobicContact CG-CB 3.86Å; R473-A573 VanDerWaalsContact O-CB 3.22Å; R473-A573 WeakPolarHBondContact O-CB 3.19Å; R473-D574 IonicContact CZ-OD1 3.62Å; R473-D574 IonicContact NE-OD1 2.89Å; R473-D574 PolarHBondContact NE-OD1 3.43Å; R473-D574 IonicContact NH2-OD1 3.41Å; R473-D574 PolarHBondContact NH2-OD1 3.18Å; R473-I577 HydrophobicContact CG-CD1 4.39Å
474	L	98.3	Very high	95.2	Very high	21 Å²	21	27.4 Å²	27.4	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-42.1	174.5	-61.1	-176.7	0	0	0	111.2	D470 I471 A477 L478 Q566 L569	D470-L474 WeakPolarHBondContact O-CG 3.21Å; D470-L474 PolarHBondContact O-N 3Å; D470-L474 VanDerWaalsContact O-N 3.1Å; I471-L474 PolarHBondContact O-N 2.81Å; L474-A477 PolarHBondContact O-N 2.94Å; L474-L478 VanDerWaalsContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.39Å; L474-L478 PolarHBondContact O-N 3.3Å; L474-Q566 HydrophobicContact CD1-CG 4.34Å; L474-Q566 HydrophobicContact CD2-CB 4.25Å; L474-Q566 HydrophobicContact CD2-CG 4.03Å; L474-L569 HydrophobicContact CD2-CB 3.72Å; L474-L569 HydrophobicContact CD2-CD1 3.89Å; L474-L569 HydrophobicContact CD2-CG 4.48Å
475	F	97.1	Very high	94.4	Very high	31 Å²	31	24.7 Å²	24.7	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-58.4	-50.3	175.4	171.3	-89.5	0	0	0	112	V50 Q416 A420 I471 L472 R473 A477 L478 N479	V50-F475 HydrophobicContact CG1-CB 4.46Å; V50-F475 HydrophobicContact CG1-CD2 3.72Å; V50-F475 HydrophobicContact CG1-CE2 4.46Å; V50-F475 HydrophobicContact CG1-CG 4.49Å; V50-F475 HydrophobicContact CG2-CD2 4.4Å; Q416-F475 HydrophobicContact CB-CE1 4.44Å; Q416-F475 HydrophobicContact CB-CZ 4.1Å; Q416-F475 HydrophobicContact CG-CE1 4.3Å; Q416-F475 HydrophobicContact CG-CZ 3.86Å; Q416-F475 WeakPolarHBondContact O-CE1 3.24Å; A420-F475 HydrophobicContact CB-CD1 3.82Å; A420-F475 HydrophobicContact CB-CE1 4.04Å; I471-F475 WeakPolarHBondContact O-CB 3.45Å; I471-F475 PolarHBondContact O-N 3.06Å; L472-F475 WeakPolarHBondContact O-CB 3.41Å; L472-F475 PolarHBondContact O-N 2.64Å; R473-F475 VanDerWaalsContact C-N 3.29Å; R473-F475 PolarHBondContact O-N 3.05Å; F475-A477 PolarHBondContact O-N 3.35Å; F475-L478 PolarHBondContact O-N 2.97Å; F475-N479 WeakPolarHBondContact CD2-ND2 3.38Å; F475-N479 WeakPolarHBondContact CE2-ND2 3.38Å; F475-N479 VanDerWaalsContact O-CB 3.28Å; F475-N479 WeakPolarHBondContact O-CB 3.41Å; F475-N479 PolarHBondContact O-N 3.16Å; F475-N479 PolarHBondContact O-ND2 3.35Å
476	V	98.3	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.6	-52.2	178.3	164.8	0	0	0	0	110.5	F82 I417 A420 I421 I424 L472 R473 G480 A573 A576	F82-V476 HydrophobicContact CZ-CG1 4.31Å; I417-V476 HydrophobicContact CG2-CB 4.37Å; I417-V476 HydrophobicContact CG2-CG1 3.94Å; I417-V476 HydrophobicContact CG2-CG2 4.17Å; A420-V476 HydrophobicContact CB-CG2 3.75Å; I421-V476 HydrophobicContact CD1-CG1 4.42Å; I421-V476 HydrophobicContact CG1-CG1 4.23Å; I421-V476 HydrophobicContact CG1-CG2 3.98Å; I424-V476 HydrophobicContact CD1-CG2 4.4Å; L472-V476 VanDerWaalsContact O-CG2 3.3Å; L472-V476 WeakPolarHBondContact O-CG2 3.19Å; L472-V476 PolarHBondContact O-N 3.43Å; R473-V476 PolarHBondContact O-N 3.3Å; V476-G480 PolarHBondContact O-N 3.49Å; V476-A573 HydrophobicContact CB-CB 4.36Å; V476-A573 HydrophobicContact CG1-CB 4.24Å; V476-A576 HydrophobicContact CG1-CB 3.82Å
477	A	98.1	Very high	92.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-48.6	-178.5	0	0	0	0	0	112.2	R473 L474 F475 G480 F481 L569 V572 A573	R473-A477 PolarHBondContact O-N 2.87Å; L474-A477 PolarHBondContact O-N 2.94Å; F475-A477 PolarHBondContact O-N 3.35Å; A477-G480 PolarHBondContact O-N 2.61Å; A477-F481 WeakPolarHBondContact O-CB 3.22Å; A477-F481 WeakPolarHBondContact O-CD2 3.41Å; A477-F481 PolarHBondContact O-N 3.03Å; A477-L569 HydrophobicContact CB-CB 4.09Å; A477-L569 HydrophobicContact CB-CD2 3.89Å; A477-L569 WeakPolarHBondContact CB-O 3.44Å; A477-V572 HydrophobicContact CB-CB 4.27Å; A477-V572 HydrophobicContact CB-CG1 3.88Å; A477-A573 HydrophobicContact CB-CB 4.35Å
478	L	96	Very high	92	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-68.4	-39.6	-176.3	-69.8	171.6	0	0	0	112.7	A47 L51 L474 F475 F481 Q482 I563 L569	A47-L478 HydrophobicContact CB-CD1 3.98Å; L51-L478 HydrophobicContact CD2-CB 4.33Å; L474-L478 VanDerWaalsContact O-CB 3.26Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 VanDerWaalsContact O-CG 3.23Å; L474-L478 WeakPolarHBondContact O-CG 3.39Å; L474-L478 PolarHBondContact O-N 3.3Å; F475-L478 PolarHBondContact O-N 2.97Å; L478-F481 PolarHBondContact O-N 3.42Å; L478-Q482 WeakPolarHBondContact O-CB 3.49Å; L478-Q482 PolarHBondContact O-N 3.45Å; L478-I563 HydrophobicContact CD1-CG1 4.28Å; L478-I563 HydrophobicContact CD2-CB 4.36Å; L478-I563 HydrophobicContact CD2-CG1 4.32Å; L478-L569 HydrophobicContact CD1-CD1 4.44Å; L478-L569 HydrophobicContact CD2-CD1 3.95Å; L478-L569 HydrophobicContact CD2-CD2 3.84Å; L478-L569 HydrophobicContact CG-CD1 4.16Å; L478-L569 HydrophobicContact CG-CD2 4.25Å
479	N	94	Very high	91.2	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-66.1	-39.8	174.2	-82.8	-96.2	0	0	0	111.4	V50 Q416 I417 F475 Q482 N483	V50-N479 WeakPolarHBondContact CG1-ND2 3.44Å; Q416-N479 PolarHBondContact NE2-OD1 3.45Å; I417-N479 HydrophobicContact CD1-CB 3.92Å; I417-N479 HydrophobicContact CG1-CB 4.07Å; F475-N479 WeakPolarHBondContact CD2-ND2 3.38Å; F475-N479 WeakPolarHBondContact CE2-ND2 3.38Å; F475-N479 VanDerWaalsContact O-CB 3.28Å; F475-N479 WeakPolarHBondContact O-CB 3.41Å; F475-N479 PolarHBondContact O-N 3.16Å; F475-N479 PolarHBondContact O-ND2 3.35Å; N479-Q482 PolarHBondContact O-N 2.95Å; N479-N483 PolarHBondContact O-N 3.27Å; N479-N483 PolarHBondContact O-ND2 3.49Å
480	G	93.7	Very high	90	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-48.6	172.2	0	0	0	0	0	112.3	F82 V476 A477 Q482 N483 A484	F82-G480 VanDerWaalsContact CD1-CA 3.47Å; V476-G480 PolarHBondContact O-N 3.49Å; A477-G480 PolarHBondContact O-N 2.61Å; G480-Q482 PolarHBondContact O-N 3.15Å; G480-N483 PolarHBondContact O-N 3.02Å; G480-A484 PolarHBondContact O-N 3.33Å; G480-A484 VanDerWaalsContact O-N 3.09Å
481	F	93.3	Very high	88.7	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-39.4	176.6	-83.7	-57.9	0	0	0	113.5	A477 L478 N483 A484 G485 I551 L554 L555 I562 L569 V572	A477-F481 WeakPolarHBondContact O-CB 3.22Å; A477-F481 WeakPolarHBondContact O-CD2 3.41Å; A477-F481 PolarHBondContact O-N 3.03Å; L478-F481 PolarHBondContact O-N 3.42Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 2.96Å; F481-A484 PolarHBondContact O-N 3.21Å; F481-G485 PolarHBondContact O-N 3.37Å; F481-I551 HydrophobicContact CD1-CD1 4.48Å; F481-I551 HydrophobicContact CD1-CG2 3.82Å; F481-I551 HydrophobicContact CE1-CB 4.31Å; F481-I551 HydrophobicContact CE1-CD1 3.75Å; F481-I551 HydrophobicContact CE1-CG2 3.7Å; F481-I551 HydrophobicContact CE2-CD1 4.41Å; F481-I551 HydrophobicContact CZ-CD1 3.7Å; F481-L554 HydrophobicContact CE1-CB 4.06Å; F481-L554 HydrophobicContact CZ-CB 4.06Å; F481-L554 HydrophobicContact CZ-CD1 3.98Å; F481-L555 HydrophobicContact CB-CD2 4.25Å; F481-L555 HydrophobicContact CD1-CD1 4.05Å; F481-L555 HydrophobicContact CD1-CD2 3.56Å; F481-L555 HydrophobicContact CD1-CG 3.53Å; F481-L555 HydrophobicContact CE1-CD2 4.29Å; F481-L555 HydrophobicContact CE1-CG 3.92Å; F481-L555 HydrophobicContact CG-CD2 4.26Å; F481-I562 HydrophobicContact CD2-CG1 4.07Å; F481-I562 HydrophobicContact CE1-CG1 4.49Å; F481-I562 HydrophobicContact CE2-CD1 4.33Å; F481-I562 HydrophobicContact CE2-CG1 3.87Å; F481-I562 HydrophobicContact CZ-CD1 4.23Å; F481-I562 HydrophobicContact CZ-CG1 4.08Å; F481-L569 HydrophobicContact CD2-CD2 3.85Å; F481-L569 HydrophobicContact CE2-CD2 3.72Å; F481-V572 HydrophobicContact CE2-CB 4.42Å; F481-V572 HydrophobicContact CE2-CG1 3.96Å; F481-V572 HydrophobicContact CE2-CG2 4.2Å; F481-V572 HydrophobicContact CZ-CG1 4.3Å; F481-V572 HydrophobicContact CZ-CG2 4.09Å
482	Q	89.4	Confident	87.7	Confident	62 Å²	62	33 Å²	33	29%	0.29	17%	0.17	S	C	.	.	H	α-helix	trans	-59.8	-43.6	178.7	-176.6	176.5	18	0	0	111.1	L51 L478 N479 G480 N486	L51-Q482 HydrophobicContact CD2-CB 4.2Å; L51-Q482 HydrophobicContact CD2-CG 4.46Å; L478-Q482 WeakPolarHBondContact O-CB 3.49Å; L478-Q482 PolarHBondContact O-N 3.45Å; N479-Q482 PolarHBondContact O-N 2.95Å; G480-Q482 PolarHBondContact O-N 3.15Å; Q482-N486 PolarHBondContact O-N 2.95Å; Q482-N486 VanDerWaalsContact O-N 3.13Å; Q482-N486 PolarHBondContact O-ND2 2.9Å
483	N	82.8	Confident	86.7	Confident	51 Å²	51	40.6 Å²	40.6	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-45.9	178.8	-72.9	-49.3	0	0	0	112.4	V79 N479 G480 F481 N486 Q487	V79-N483 HydrophobicContact CG1-CB 3.93Å; N479-N483 PolarHBondContact O-N 3.27Å; N479-N483 PolarHBondContact O-ND2 3.49Å; G480-N483 PolarHBondContact O-N 3.02Å; F481-N483 VanDerWaalsContact C-N 3.3Å; F481-N483 PolarHBondContact O-N 2.96Å; N483-N486 PolarHBondContact O-N 3.24Å; N483-Q487 PolarHBondContact O-N 2.92Å
484	A	83.2	Confident	85.4	Confident	8 Å²	8	40 Å²	40	7%	0.066	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-40.6	175.9	0	0	0	0	0	112.3	K83 G480 F481 N486 Q487 L488 I551 L555	K83-A484 HydrophobicContact CG-CB 4.43Å; G480-A484 PolarHBondContact O-N 3.33Å; G480-A484 VanDerWaalsContact O-N 3.09Å; F481-A484 PolarHBondContact O-N 3.21Å; A484-N486 VanDerWaalsContact C-N 3.32Å; A484-N486 PolarHBondContact O-N 3.03Å; A484-Q487 WeakPolarHBondContact O-CB 3.18Å; A484-Q487 PolarHBondContact O-N 3.38Å; A484-L488 PolarHBondContact O-N 3.04Å; A484-I551 HydrophobicContact CB-CG2 3.98Å; A484-L555 HydrophobicContact CB-CD1 3.81Å
485	G	82.8	Confident	84.2	Confident	14 Å²	14	43.7 Å²	43.7	14%	0.144	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-32.5	177.9	0	0	0	0	0	113.6	F481 L488 K489	F481-G485 PolarHBondContact O-N 3.37Å; G485-L488 PolarHBondContact O-N 3.47Å; G485-K489 WeakPolarHBondContact O-CG 3.49Å; G485-K489 PolarHBondContact O-N 3.09Å
486	N	82.1	Confident	83.4	Confident	82 Å²	82	51 Å²	51	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-66.1	-38.7	173.6	-72.3	-23.6	0	0	0	111.9	Q482 N483 A484 K489 S490	Q482-N486 PolarHBondContact O-N 2.95Å; Q482-N486 VanDerWaalsContact O-N 3.13Å; Q482-N486 PolarHBondContact O-ND2 2.9Å; N483-N486 PolarHBondContact O-N 3.24Å; A484-N486 VanDerWaalsContact C-N 3.32Å; A484-N486 PolarHBondContact O-N 3.03Å; N486-K489 PolarHBondContact O-N 2.97Å; N486-S490 PolarHBondContact O-N 3.19Å
487	Q	76.6	Confident	82.4	Confident	49 Å²	49	55.4 Å²	55.4	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-40.8	173.3	-174.4	-177.5	11.1	0	0	111.9	K83 N483 A484 K489 S490 L491	K83-Q487 VanDerWaalsContact CD-OE1 3.22Å; N483-Q487 PolarHBondContact O-N 2.92Å; A484-Q487 WeakPolarHBondContact O-CB 3.18Å; A484-Q487 PolarHBondContact O-N 3.38Å; Q487-K489 VanDerWaalsContact C-N 3.28Å; Q487-K489 PolarHBondContact O-N 3.49Å; Q487-S490 WeakPolarHBondContact CA-OG 3.4Å; Q487-S490 PolarHBondContact O-N 2.92Å; Q487-S490 VanDerWaalsContact O-N 3.13Å; Q487-S490 PolarHBondContact O-OG 3.5Å; Q487-L491 HydrophobicContact CG-CD1 4.39Å; Q487-L491 WeakPolarHBondContact O-CG 3.44Å; Q487-L491 PolarHBondContact O-N 3.46Å
488	L	76.6	Confident	81.1	Confident	28 Å²	28	58.7 Å²	58.7	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-40	176.2	-170.5	65.5	0	0	0	111.4	A484 G485 L491 Q492 L555 V556	A484-L488 PolarHBondContact O-N 3.04Å; G485-L488 PolarHBondContact O-N 3.47Å; L488-L491 PolarHBondContact O-N 2.89Å; L488-Q492 WeakPolarHBondContact O-CG 3.29Å; L488-Q492 PolarHBondContact O-N 3.45Å; L488-L555 HydrophobicContact CD2-CB 4.39Å; L488-V556 HydrophobicContact CD2-CG2 4.26Å
489	K	80.6	Confident	80.1	Confident	124 Å²	124	66.3 Å²	66.3	54%	0.539	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-39.1	173.5	-72.3	171.8	-172.5	166.4	0	112.6	G485 N486 Q487 Q492 K493	G485-K489 WeakPolarHBondContact O-CG 3.49Å; G485-K489 PolarHBondContact O-N 3.09Å; N486-K489 PolarHBondContact O-N 2.97Å; Q487-K489 VanDerWaalsContact C-N 3.28Å; Q487-K489 PolarHBondContact O-N 3.49Å; K489-Q492 PolarHBondContact O-N 3.34Å; K489-K493 WeakPolarHBondContact O-CB 3.48Å; K489-K493 PolarHBondContact O-N 3.49Å
490	S	74.7	Confident	79.1	Confident	64 Å²	64	68.6 Å²	68.6	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-66.5	-39.9	176.9	66.8	0	0	0	0	111.3	N486 Q487 K493 A494	N486-S490 PolarHBondContact O-N 3.19Å; Q487-S490 WeakPolarHBondContact CA-OG 3.4Å; Q487-S490 PolarHBondContact O-N 2.92Å; Q487-S490 VanDerWaalsContact O-N 3.13Å; Q487-S490 PolarHBondContact O-OG 3.5Å; S490-K493 PolarHBondContact O-N 2.82Å; S490-A494 WeakPolarHBondContact O-CB 3.37Å; S490-A494 PolarHBondContact O-N 3.33Å
491	L	70.3	Confident	78.1	Confident	13 Å²	13	71.3 Å²	71.3	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-63.6	-43.2	172.9	-70.7	171	0	0	0	112.1	Q487 L488 K493 A494 L495 L504 E508	Q487-L491 HydrophobicContact CG-CD1 4.39Å; Q487-L491 WeakPolarHBondContact O-CG 3.44Å; Q487-L491 PolarHBondContact O-N 3.46Å; L488-L491 PolarHBondContact O-N 2.89Å; L491-K493 VanDerWaalsContact C-N 3.3Å; L491-K493 PolarHBondContact O-N 3.45Å; L491-A494 WeakPolarHBondContact O-CB 3.49Å; L491-A494 PolarHBondContact O-N 3.44Å; L491-L495 PolarHBondContact O-N 3.45Å; L491-L504 HydrophobicContact CD2-CD2 4.21Å; L491-L504 HydrophobicContact CD2-CG 4.23Å; L491-E508 HydrophobicContact CD1-CG 4Å; L491-E508 HydrophobicContact CD2-CB 4.4Å; L491-E508 HydrophobicContact CD2-CG 4.16Å
492	Q	76.8	Confident	76.9	Confident	107 Å²	107	73.9 Å²	73.9	50%	0.5	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-38.9	173.3	-76.1	176.8	-11.4	0	0	112.3	L488 K489 L495 K496	L488-Q492 WeakPolarHBondContact O-CG 3.29Å; L488-Q492 PolarHBondContact O-N 3.45Å; K489-Q492 PolarHBondContact O-N 3.34Å; Q492-L495 PolarHBondContact O-N 2.92Å; Q492-K496 PolarHBondContact O-N 3.33Å
493	K	77.6	Confident	76	Confident	161 Å²	161	74 Å²	74	70%	0.7	42%	0.417	S	S	*	.	H	α-helix	trans	-68	-39.4	175.4	-169.2	179.9	179.8	-176.8	0	111.5	K489 S490 L491 K496	K489-K493 WeakPolarHBondContact O-CB 3.48Å; K489-K493 PolarHBondContact O-N 3.49Å; S490-K493 PolarHBondContact O-N 2.82Å; L491-K493 VanDerWaalsContact C-N 3.3Å; L491-K493 PolarHBondContact O-N 3.45Å; K493-K496 WeakPolarHBondContact O-CB 3.47Å; K493-K496 PolarHBondContact O-N 2.86Å
494	A	72.3	Confident	75.4	Confident	5 Å²	5	76.2 Å²	76.2	4%	0.041	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-39.6	175	0	0	0	0	0	112	S490 L491 K496 N497 N501 L504 L505	S490-A494 WeakPolarHBondContact O-CB 3.37Å; S490-A494 PolarHBondContact O-N 3.33Å; L491-A494 WeakPolarHBondContact O-CB 3.49Å; L491-A494 PolarHBondContact O-N 3.44Å; A494-K496 PolarHBondContact O-N 3.25Å; A494-N497 CarbonylContact O-C 3.36Å; A494-N497 PolarHBondContact O-N 3.43Å; A494-N501 HydrophobicContact CB-CB 3.87Å; A494-L504 HydrophobicContact CB-CD2 4.18Å; A494-L505 HydrophobicContact CB-CD2 4.18Å
495	L	71.9	Confident	74.7	Confident	99 Å²	99	76.7 Å²	76.7	52%	0.518	43%	0.43	S	S	.	.	H	α-helix	trans	-61	-28.8	173.8	-78.6	167.1	0	0	0	113.3	L491 Q492 N497 P498 L505	L491-L495 PolarHBondContact O-N 3.45Å; Q492-L495 PolarHBondContact O-N 2.92Å; L495-N497 VanDerWaalsContact C-N 3.27Å; L495-N497 PolarHBondContact O-N 3.14Å; L495-P498 WeakPolarHBondContact O-CD 3.45Å; L495-L505 HydrophobicContact CD2-CD1 4.43Å; L495-L505 HydrophobicContact CD2-CD2 3.66Å; L495-L505 HydrophobicContact CG-CD2 3.7Å
496	K	79.4	Confident	74.2	Confident	185 Å²	185	78.4 Å²	78.4	80%	0.804	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.5	174.4	-67.8	-177.7	179.1	-172.1	0	113.4	Q492 K493 A494	Q492-K496 PolarHBondContact O-N 3.33Å; K493-K496 WeakPolarHBondContact O-CB 3.47Å; K493-K496 PolarHBondContact O-N 2.86Å; A494-K496 PolarHBondContact O-N 3.25Å
497	N	79.2	Confident	73.7	Confident	92 Å²	92	76.2 Å²	76.2	49%	0.492	44%	0.44	S	S	.	.	S	Bend	trans	-133.9	72.6	171.7	-174.7	5.1	0	0	0	110.1	A494 L495 L499 G500 N501	A494-N497 CarbonylContact O-C 3.36Å; A494-N497 PolarHBondContact O-N 3.43Å; L495-N497 VanDerWaalsContact C-N 3.27Å; L495-N497 PolarHBondContact O-N 3.14Å; N497-L499 PolarHBondContact O-N 3.44Å; N497-G500 PolarHBondContact O-N 2.97Å; N497-N501 PolarHBondContact O-ND2 3.44Å
498	P	70.8	Confident	73.5	Confident	69 Å²	69	75.2 Å²	75.2	45%	0.448	44%	0.435	S	S	.	.			trans	-69.9	-34.4	-168.5	26	-32.4	0	0	0	112.8	L495 G500 N501 A502 L505	L495-P498 WeakPolarHBondContact O-CD 3.45Å; P498-G500 VanDerWaalsContact C-N 3.32Å; P498-G500 PolarHBondContact O-N 3.15Å; P498-N501 CarbonylContact O-C 3.04Å; P498-N501 PolarHBondContact O-N 3.03Å; P498-A502 PolarHBondContact O-N 2.94Å; P498-A502 VanDerWaalsContact O-N 3.13Å; P498-L505 HydrophobicContact CB-CD1 4.01Å
499	L	74.1	Confident	73.4	Confident	167 Å²	167	79 Å²	79	87%	0.874	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64	-36.1	179.3	-67.1	171.8	0	0	0	112.2	N497	N497-L499 PolarHBondContact O-N 3.44Å
500	G	72.8	Confident	73.1	Confident	55 Å²	55	76.6 Å²	76.6	57%	0.567	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-81.5	-7.1	177.5	0	0	0	0	0	115.3	N497 P498	N497-G500 PolarHBondContact O-N 2.97Å; P498-G500 VanDerWaalsContact C-N 3.32Å; P498-G500 PolarHBondContact O-N 3.15Å
501	N	71.9	Confident	73	Confident	57 Å²	57	77.9 Å²	77.9	31%	0.305	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-135.2	24.2	-173.8	-62.5	-74.5	0	0	0	113.4	A494 N497 P498 G503 L504 L505	A494-N501 HydrophobicContact CB-CB 3.87Å; N497-N501 PolarHBondContact O-ND2 3.44Å; P498-N501 CarbonylContact O-C 3.04Å; P498-N501 PolarHBondContact O-N 3.03Å; N501-G503 VanDerWaalsContact C-N 3.32Å; N501-G503 PolarHBondContact O-N 2.94Å; N501-L504 PolarHBondContact O-N 3.33Å; N501-L505 HydrophobicContact CB-CD1 4.29Å; N501-L505 HydrophobicContact CB-CG 4.46Å; N501-L505 WeakPolarHBondContact O-CG 3.45Å; N501-L505 PolarHBondContact O-N 3.16Å; N501-L505 VanDerWaalsContact O-N 3.1Å
502	A	69.6	Low	73.1	Confident	60 Å²	60	81.3 Å²	81.3	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-55.9	-40.9	-171.2	0	0	0	0	0	113.7	P498 L505 A506	P498-A502 PolarHBondContact O-N 2.94Å; P498-A502 VanDerWaalsContact O-N 3.13Å; A502-L505 PolarHBondContact O-N 3.39Å; A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.32Å; A502-A506 PolarHBondContact O-N 2.89Å
503	G	70.6	Confident	72.8	Confident	64 Å²	64	79.1 Å²	79.1	66%	0.66	46%	0.46	S	S	*	.	H	α-helix	trans	-66.3	-41.1	179.3	0	0	0	0	0	114	N501 G507	N501-G503 VanDerWaalsContact C-N 3.32Å; N501-G503 PolarHBondContact O-N 2.94Å; G503-G507 PolarHBondContact O-N 3.44Å; G503-G507 VanDerWaalsContact O-N 3.14Å
504	L	69.7	Low	72.7	Confident	98 Å²	98	75.5 Å²	75.5	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-42.9	176.4	-176.5	71.6	0	0	0	110.9	L491 A494 N501 E508	L491-L504 HydrophobicContact CD2-CD2 4.21Å; L491-L504 HydrophobicContact CD2-CG 4.23Å; A494-L504 HydrophobicContact CB-CD2 4.18Å; N501-L504 PolarHBondContact O-N 3.33Å; L504-E508 WeakPolarHBondContact O-CB 3.37Å; L504-E508 PolarHBondContact O-N 3.23Å; L504-E508 VanDerWaalsContact O-N 3.16Å
505	L	68.9	Low	72.6	Confident	17 Å²	17	76.5 Å²	76.5	9%	0.089	45%	0.447	C	S	.	.	H	α-helix	trans	-70	-42.6	-178.9	-67	170.2	0	0	0	111.9	A494 L495 P498 N501 A502 E508 I509	A494-L505 HydrophobicContact CB-CD2 4.18Å; L495-L505 HydrophobicContact CD2-CD1 4.43Å; L495-L505 HydrophobicContact CD2-CD2 3.66Å; L495-L505 HydrophobicContact CG-CD2 3.7Å; P498-L505 HydrophobicContact CB-CD1 4.01Å; N501-L505 HydrophobicContact CB-CD1 4.29Å; N501-L505 HydrophobicContact CB-CG 4.46Å; N501-L505 WeakPolarHBondContact O-CG 3.45Å; N501-L505 PolarHBondContact O-N 3.16Å; N501-L505 VanDerWaalsContact O-N 3.1Å; A502-L505 PolarHBondContact O-N 3.39Å; L505-E508 PolarHBondContact O-N 3.29Å; L505-I509 WeakPolarHBondContact O-CB 3.4Å; L505-I509 WeakPolarHBondContact O-CD1 3.44Å; L505-I509 WeakPolarHBondContact O-CG1 3.39Å; L505-I509 PolarHBondContact O-N 2.92Å
506	A	72.4	Confident	72.4	Confident	51 Å²	51	81 Å²	81	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-60.4	-47.8	176.3	0	0	0	0	0	111.5	A502 E508 I509 T510	A502-A506 VanDerWaalsContact O-CB 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.32Å; A502-A506 PolarHBondContact O-N 2.89Å; A506-E508 VanDerWaalsContact C-N 3.34Å; A506-E508 PolarHBondContact O-N 3.1Å; A506-I509 PolarHBondContact O-N 3.39Å; A506-T510 PolarHBondContact O-N 2.82Å; A506-T510 PolarHBondContact O-OG1 2.87Å; A506-T510 VanDerWaalsContact O-OG1 3.06Å
507	G	71.5	Confident	71.9	Confident	36 Å²	36	75.3 Å²	75.3	37%	0.371	45%	0.45	S	S	.	.	H	α-helix	trans	-60.1	-41.4	178	0	0	0	0	0	113.2	G503 K511	G503-G507 PolarHBondContact O-N 3.44Å; G503-G507 VanDerWaalsContact O-N 3.14Å; G507-K511 WeakPolarHBondContact O-CB 3.1Å; G507-K511 WeakPolarHBondContact O-CG 3.27Å; G507-K511 PolarHBondContact O-N 3.2Å
508	E	72.2	Confident	71.1	Confident	27 Å²	27	73.9 Å²	73.9	13%	0.126	46%	0.457	C	S	.	.	H	α-helix	trans	-71	-39.1	178.6	-167.3	59.5	-149.5	0	0	112.5	L491 L504 L505 A506 K511 R512	L491-E508 HydrophobicContact CD1-CG 4Å; L491-E508 HydrophobicContact CD2-CB 4.4Å; L491-E508 HydrophobicContact CD2-CG 4.16Å; L504-E508 WeakPolarHBondContact O-CB 3.37Å; L504-E508 PolarHBondContact O-N 3.23Å; L504-E508 VanDerWaalsContact O-N 3.16Å; L505-E508 PolarHBondContact O-N 3.29Å; A506-E508 VanDerWaalsContact C-N 3.34Å; A506-E508 PolarHBondContact O-N 3.1Å; E508-K511 PolarHBondContact O-N 3.06Å; E508-R512 WeakPolarHBondContact O-CB 3.48Å; E508-R512 WeakPolarHBondContact O-CG 3.46Å; E508-R512 PolarHBondContact O-N 2.86Å; E508-R512 IonicContact OE1-NE 3.3Å
509	I	73.9	Confident	70.9	Confident	107 Å²	107	75.8 Å²	75.8	55%	0.549	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-46.4	175.1	-70.6	164.2	0	0	0	110.3	L505 A506 R512 A513	L505-I509 WeakPolarHBondContact O-CB 3.4Å; L505-I509 WeakPolarHBondContact O-CD1 3.44Å; L505-I509 WeakPolarHBondContact O-CG1 3.39Å; L505-I509 PolarHBondContact O-N 2.92Å; A506-I509 PolarHBondContact O-N 3.39Å; I509-R512 PolarHBondContact O-N 2.88Å; I509-A513 WeakPolarHBondContact O-CB 3.44Å; I509-A513 PolarHBondContact O-N 2.83Å
510	T	74.3	Confident	70.7	Confident	75 Å²	75	71.3 Å²	71.3	46%	0.46	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177.1	-54.7	0	0	0	0	111.6	A506 A513 K514	A506-T510 PolarHBondContact O-N 2.82Å; A506-T510 PolarHBondContact O-OG1 2.87Å; A506-T510 VanDerWaalsContact O-OG1 3.06Å; T510-A513 PolarHBondContact O-N 2.95Å; T510-K514 HydrophobicContact CG2-CD 4.37Å; T510-K514 WeakPolarHBondContact O-CG 3.38Å; T510-K514 PolarHBondContact O-N 3.17Å
511	K	73.2	Confident	70.6	Confident	90 Å²	90	69.5 Å²	69.5	39%	0.391	42%	0.423	S	S	.	.	H	α-helix	trans	-61.3	-47.3	176.2	-78	177.8	-178.7	179.2	0	111.8	G507 E508 A513 K514 R515	G507-K511 WeakPolarHBondContact O-CB 3.1Å; G507-K511 WeakPolarHBondContact O-CG 3.27Å; G507-K511 PolarHBondContact O-N 3.2Å; E508-K511 PolarHBondContact O-N 3.06Å; K511-A513 PolarHBondContact O-N 3.02Å; K511-K514 PolarHBondContact O-N 3.47Å; K511-R515 WeakPolarHBondContact O-CB 3.16Å; K511-R515 WeakPolarHBondContact O-CG 3.44Å; K511-R515 PolarHBondContact O-N 3Å
512	R	71	Confident	70.9	Confident	86 Å²	86	69.6 Å²	69.6	33%	0.325	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-40.3	177.8	-77	178.8	170.8	171.4	-0.1	112.5	E508 I509 R515 K516 E552	E508-R512 WeakPolarHBondContact O-CB 3.48Å; E508-R512 WeakPolarHBondContact O-CG 3.46Å; E508-R512 PolarHBondContact O-N 2.86Å; E508-R512 IonicContact OE1-NE 3.3Å; I509-R512 PolarHBondContact O-N 2.88Å; R512-R515 PolarHBondContact O-N 2.85Å; R512-K516 WeakPolarHBondContact O-CB 3.47Å; R512-K516 PolarHBondContact O-N 2.8Å; R512-E552 IonicContact CZ-OE1 2.77Å; R512-E552 IonicContact NE-OE1 3.53Å; R512-E552 PolarHBondContact NE-OE1 3.38Å; R512-E552 IonicContact NE-OE2 3.62Å; R512-E552 IonicContact NH2-OE1 3.11Å; R512-E552 PolarHBondContact NH2-OE1 2.92Å
513	A	71.6	Confident	71.6	Confident	61 Å²	61	68.6 Å²	68.6	50%	0.504	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-46.5	176	0	0	0	0	0	111.6	I509 T510 K511 K516 A517	I509-A513 WeakPolarHBondContact O-CB 3.44Å; I509-A513 PolarHBondContact O-N 2.83Å; T510-A513 PolarHBondContact O-N 2.95Å; K511-A513 PolarHBondContact O-N 3.02Å; A513-K516 PolarHBondContact O-N 2.82Å; A513-A517 WeakPolarHBondContact O-CB 3.5Å; A513-A517 PolarHBondContact O-N 2.94Å
514	K	75.3	Confident	72.6	Confident	85 Å²	85	68.9 Å²	68.9	37%	0.37	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.5	-73.4	178.3	170.6	-166.8	0	112.2	T510 K511 K516 A517 G518 L519	T510-K514 HydrophobicContact CG2-CD 4.37Å; T510-K514 WeakPolarHBondContact O-CG 3.38Å; T510-K514 PolarHBondContact O-N 3.17Å; K511-K514 PolarHBondContact O-N 3.47Å; K514-K516 VanDerWaalsContact C-N 3.34Å; K514-K516 PolarHBondContact O-N 3.3Å; K514-A517 CarbonylContact O-C 3.58Å; K514-A517 PolarHBondContact O-N 3.49Å; K514-A517 VanDerWaalsContact O-N 3.13Å; K514-G518 PolarHBondContact O-N 3.26Å; K514-G518 VanDerWaalsContact O-N 3.12Å; K514-L519 CarbonylContact C-O 3.58Å; K514-L519 HydrophobicContact CB-CB 4.32Å; K514-L519 PolarHBondContact O-N 3.24Å
515	R	70.9	Confident	73.7	Confident	25 Å²	25	64.3 Å²	64.3	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-54	-47.8	175.5	-77	178	179.5	179.9	-0.4	111.9	K83 G84 K511 R512 A517 G518 T521 I549 E552	K83-R515 PolarHBondContact O-NH2 3.48Å; G84-R515 PolarHBondContact O-NH2 3.46Å; K511-R515 WeakPolarHBondContact O-CB 3.16Å; K511-R515 WeakPolarHBondContact O-CG 3.44Å; K511-R515 PolarHBondContact O-N 3Å; R512-R515 PolarHBondContact O-N 2.85Å; R515-A517 VanDerWaalsContact C-N 3.32Å; R515-A517 PolarHBondContact O-N 2.83Å; R515-G518 PolarHBondContact O-N 3.1Å; R515-T521 HydrophobicContact CB-CG2 4.48Å; R515-T521 HydrophobicContact CG-CG2 3.32Å; R515-I549 HydrophobicContact CB-CD1 3.74Å; R515-I549 HydrophobicContact CB-CG1 4.01Å; R515-I549 HydrophobicContact CG-CD1 4.02Å; R515-I549 HydrophobicContact CG-CG1 4.05Å; R515-E552 IonicContact NH1-OE2 2.81Å
516	K	67.5	Low	74.7	Confident	193 Å²	193	70.9 Å²	70.9	84%	0.839	42%	0.419	S	S	*	.	H	α-helix	trans	-68.3	-31.6	-179.5	-168.3	175.6	-179.3	-177.6	0	112.8	R512 A513 K514 G518	R512-K516 WeakPolarHBondContact O-CB 3.47Å; R512-K516 PolarHBondContact O-N 2.8Å; A513-K516 PolarHBondContact O-N 2.82Å; K514-K516 VanDerWaalsContact C-N 3.34Å; K514-K516 PolarHBondContact O-N 3.3Å; K516-G518 VanDerWaalsContact C-N 3.27Å
517	A	67.9	Low	75.5	Confident	67 Å²	67	72.3 Å²	72.3	55%	0.554	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-2.2	175.6	0	0	0	0	0	113.7	A513 K514 R515 L519	A513-A517 WeakPolarHBondContact O-CB 3.5Å; A513-A517 PolarHBondContact O-N 2.94Å; K514-A517 CarbonylContact O-C 3.58Å; K514-A517 PolarHBondContact O-N 3.49Å; K514-A517 VanDerWaalsContact O-N 3.13Å; R515-A517 VanDerWaalsContact C-N 3.32Å; R515-A517 PolarHBondContact O-N 2.83Å; A517-L519 HydrophobicContact CB-CD1 4.04Å; A517-L519 HydrophobicContact CB-CG 4.04Å; A517-L519 PolarHBondContact O-N 3.45Å
518	G	63.1	Low	76.6	Confident	62 Å²	62	72.8 Å²	72.8	64%	0.639	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	16.7	-175	0	0	0	0	0	113.9	K514 R515 K516	K514-G518 PolarHBondContact O-N 3.26Å; K514-G518 VanDerWaalsContact O-N 3.12Å; R515-G518 PolarHBondContact O-N 3.1Å; K516-G518 VanDerWaalsContact C-N 3.27Å
519	L	66.4	Low	77.8	Confident	108 Å²	108	72.4 Å²	72.4	57%	0.565	44%	0.435	S	S	*	.			trans	-89.8	145.2	176.9	-63.4	173.4	0	0	0	109.9	K514 A517 T521	K514-L519 CarbonylContact C-O 3.58Å; K514-L519 HydrophobicContact CB-CB 4.32Å; K514-L519 PolarHBondContact O-N 3.24Å; A517-L519 HydrophobicContact CB-CD1 4.04Å; A517-L519 HydrophobicContact CB-CG 4.04Å; A517-L519 PolarHBondContact O-N 3.45Å; L519-T521 PolarHBondContact O-N 3.39Å
520	S	69.2	Low	79	Confident	73 Å²	73	69.2 Å²	69.2	51%	0.51	42%	0.418	S	S	.	.			trans	-51.8	133.2	176.1	172.1	0	0	0	0	111	G522	S520-G522 PolarHBondContact O-N 3.36Å; S520-G522 PolarHBondContact OG-N 2.95Å; S520-G522 VanDerWaalsContact OG-N 3.14Å
521	T	71.7	Confident	80.1	Confident	17 Å²	17	70.4 Å²	70.4	10%	0.104	43%	0.427	C	S	.	.			trans	-76.9	-3	176.6	63.3	0	0	0	0	113.3	R515 L519 L523 E545	R515-T521 HydrophobicContact CB-CG2 4.48Å; R515-T521 HydrophobicContact CG-CG2 3.32Å; L519-T521 PolarHBondContact O-N 3.39Å; T521-L523 WeakPolarHBondContact OG1-CD1 3.14Å; T521-L523 VanDerWaalsContact OG1-CG 3.29Å; T521-L523 WeakPolarHBondContact OG1-CG 3.34Å; T521-E545 VanDerWaalsContact CB-OE1 3.3Å; T521-E545 WeakPolarHBondContact CB-OE1 3.19Å; T521-E545 WeakPolarHBondContact CG2-OE1 3.45Å; T521-E545 PolarHBondContact N-OE1 3.33Å; T521-E545 PolarHBondContact OG1-OE1 3.48Å
522	G	78.3	Confident	81.3	Confident	59 Å²	59	69.8 Å²	69.8	61%	0.608	43%	0.428	S	S	*	.	S	Bend	trans	87.3	4.2	-168.4	0	0	0	0	0	113.3	S520	S520-G522 PolarHBondContact O-N 3.36Å; S520-G522 PolarHBondContact OG-N 2.95Å; S520-G522 VanDerWaalsContact OG-N 3.14Å
523	L	84.5	Confident	82.6	Confident	40 Å²	40	65.7 Å²	65.7	21%	0.209	41%	0.412	C	S	.	.			trans	-67.2	137.6	168	-73.7	171.6	0	0	0	109.8	G84 I86 T521 V541 E545	G84-L523 WeakPolarHBondContact O-CD1 3.38Å; I86-L523 HydrophobicContact CB-CD2 4.26Å; I86-L523 HydrophobicContact CD1-CB 4.15Å; I86-L523 HydrophobicContact CD1-CD2 4.3Å; I86-L523 HydrophobicContact CG1-CD2 4.12Å; T521-L523 WeakPolarHBondContact OG1-CD1 3.14Å; T521-L523 VanDerWaalsContact OG1-CG 3.29Å; T521-L523 WeakPolarHBondContact OG1-CG 3.34Å; L523-V541 HydrophobicContact CB-CG1 3.91Å; L523-V541 WeakPolarHBondContact O-CG1 3.39Å; L523-E545 HydrophobicContact CD1-CG 3.74Å
524	T	90.5	Very high	83.9	Confident	69 Å²	69	64.6 Å²	64.6	42%	0.423	40%	0.403	S	S	.	.			trans	-155.1	150	178.3	-176.2	0	0	0	0	109.9	Q526	T524-Q526 HydrophobicContact CG2-CB 4.46Å; T524-Q526 WeakPolarHBondContact OG1-CB 3.37Å; T524-Q526 PolarHBondContact OG1-N 3.33Å
525	L	92.9	Very high	84.9	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	42%	0.418	C	S	.	.			trans	-98.5	-0.4	165.9	-72.6	172.2	0	0	0	111.8	I86 T88 F92 G527 S528 I529 T540 V541 L586	I86-L525 HydrophobicContact CD1-CD2 4.37Å; I86-L525 HydrophobicContact CD1-CG 4.3Å; I86-L525 HydrophobicContact CG2-CD2 3.69Å; T88-L525 HydrophobicContact CG2-CD2 4.36Å; F92-L525 HydrophobicContact CE2-CD2 3.89Å; F92-L525 HydrophobicContact CZ-CD2 4.32Å; L525-G527 PolarHBondContact O-N 3.02Å; L525-S528 WeakPolarHBondContact O-CA 3.37Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 3.19Å; L525-I529 HydrophobicContact CB-CD1 4.12Å; L525-I529 HydrophobicContact CB-CG1 4.34Å; L525-I529 HydrophobicContact CB-CG2 4.18Å; L525-I529 PolarHBondContact O-N 2.65Å; L525-T540 HydrophobicContact CD1-CG2 4.27Å; L525-V541 HydrophobicContact CB-CG2 4.32Å; L525-V541 HydrophobicContact CD1-CG2 4.1Å; L525-V541 HydrophobicContact CG-CG2 3.84Å; L525-L586 HydrophobicContact CD1-CD1 4.16Å
526	Q	89.6	Confident	86.2	Confident	155 Å²	155	66.4 Å²	66.4	72%	0.724	42%	0.415	S	S	*	.	B	Isolated β-bridge	trans	-60.7	133.9	-178.8	-157.9	157.7	24.2	0	0	110.4	T524 S528	T524-Q526 HydrophobicContact CG2-CB 4.46Å; T524-Q526 WeakPolarHBondContact OG1-CB 3.37Å; T524-Q526 PolarHBondContact OG1-N 3.33Å; Q526-S528 PolarHBondContact O-N 3.34Å
527	G	90.6	Very high	87.7	Confident	81 Å²	81	57.3 Å²	57.3	84%	0.835	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-15.8	-170.9	0	0	0	0	0	114.9	L525	L525-G527 PolarHBondContact O-N 3.02Å
528	S	94.6	Very high	89.1	Confident	46 Å²	46	58.9 Å²	58.9	32%	0.322	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-23.2	169.8	-57.9	0	0	0	0	113	F92 L525 Q526	F92-S528 WeakPolarHBondContact CD1-O 3.47Å; L525-S528 WeakPolarHBondContact O-CA 3.37Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 3.19Å; Q526-S528 PolarHBondContact O-N 3.34Å
529	I	97.1	Very high	90.7	Very high	20 Å²	20	57.7 Å²	57.7	10%	0.103	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-113.3	158.1	178	64.7	176.1	0	0	0	111.8	F92 L525 L586 S590	F92-I529 HydrophobicContact CD1-CG2 4.12Å; F92-I529 HydrophobicContact CE1-CG2 3.47Å; F92-I529 VanDerWaalsContact CE1-CG2 3.47Å; F92-I529 HydrophobicContact CZ-CG2 3.95Å; L525-I529 HydrophobicContact CB-CD1 4.12Å; L525-I529 HydrophobicContact CB-CG1 4.34Å; L525-I529 HydrophobicContact CB-CG2 4.18Å; L525-I529 PolarHBondContact O-N 2.65Å; I529-L586 HydrophobicContact CG2-CB 4.43Å; I529-S590 WeakPolarHBondContact CA-OG 3.47Å; I529-S590 WeakPolarHBondContact CB-OG 3.5Å
530	H	98.4	Very high	92.2	Very high	40 Å²	40	52.6 Å²	52.6	19%	0.185	33%	0.326	C	S	.	.			trans	-66.1	141.8	174.4	-171.2	-86.5	0	0	0	110.9	D532 L533 S590 L593	H530-D532 VanDerWaalsContact C-N 3.26Å; H530-D532 IonicContact CE1-OD1 3.87Å; H530-D532 IonicContact CE1-OD2 3.63Å; H530-D532 WeakPolarHBondContact ND1-CB 3.41Å; H530-D532 PolarHBondContact ND1-N 3.21Å; H530-D532 VanDerWaalsContact ND1-N 3.19Å; H530-D532 IonicContact ND1-OD1 3.54Å; H530-D532 PolarHBondContact O-N 3.41Å; H530-L533 PolarHBondContact O-N 3.29Å; H530-S590 PolarHBondContact N-OG 3.33Å; H530-L593 HydrophobicContact CB-CB 4.15Å; H530-L593 HydrophobicContact CB-CD1 4.04Å
531	P	98	Very high	93.5	Very high	100 Å²	100	49.6 Å²	49.6	65%	0.649	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-53.4	-38.1	-178.2	-29.5	36.3	0	0	0	114.7	L533 A534	P531-L533 PolarHBondContact O-N 2.83Å; P531-L533 VanDerWaalsContact O-N 3.07Å; P531-A534 VanDerWaalsContact O-CB 3.22Å; P531-A534 WeakPolarHBondContact O-CB 3.28Å; P531-A534 PolarHBondContact O-N 3.38Å
532	D	98.3	Very high	94.7	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-62.5	-14.7	178.1	-69.1	16.5	0	0	0	114.7	H530 L593 K604	H530-D532 VanDerWaalsContact C-N 3.26Å; H530-D532 IonicContact CE1-OD1 3.87Å; H530-D532 IonicContact CE1-OD2 3.63Å; H530-D532 WeakPolarHBondContact ND1-CB 3.41Å; H530-D532 PolarHBondContact ND1-N 3.21Å; H530-D532 VanDerWaalsContact ND1-N 3.19Å; H530-D532 IonicContact ND1-OD1 3.54Å; H530-D532 PolarHBondContact O-N 3.41Å; D532-L593 HydrophobicContact CB-CD1 4.32Å; D532-K604 HydrophobicContact CB-CD 4.17Å; D532-K604 VanDerWaalsContact O-CE 3.29Å; D532-K604 WeakPolarHBondContact O-CE 3.37Å
533	L	98.6	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-105.5	9.9	178	-70.6	170.3	0	0	0	112.5	H530 P531 Q535 S536 G537 L586 A589 S590 L593 K604 C607 D608	H530-L533 PolarHBondContact O-N 3.29Å; P531-L533 PolarHBondContact O-N 2.83Å; P531-L533 VanDerWaalsContact O-N 3.07Å; L533-Q535 VanDerWaalsContact C-N 3.3Å; L533-Q535 PolarHBondContact O-N 3.25Å; L533-S536 PolarHBondContact O-N 2.91Å; L533-G537 PolarHBondContact O-N 3.35Å; L533-L586 HydrophobicContact CB-CD2 4.01Å; L533-L586 HydrophobicContact CD1-CD2 4.45Å; L533-A589 HydrophobicContact CD1-CB 3.77Å; L533-S590 WeakPolarHBondContact CD1-OG 3.21Å; L533-L593 HydrophobicContact CD1-CD1 3.76Å; L533-L593 HydrophobicContact CG-CD1 3.92Å; L533-K604 HydrophobicContact CD2-CB 4.47Å; L533-K604 HydrophobicContact CD2-CG 3.74Å; L533-K604 HydrophobicContact CG-CG 4.42Å; L533-C607 HydrophobicContact CD2-CB 4.12Å; L533-D608 WeakPolarHBondContact CD2-OD1 3.06Å
534	A	97.6	Very high	96.1	Very high	38 Å²	38	49.2 Å²	49.2	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-54.6	-43.3	-175.4	0	0	0	0	0	112.9	P531 S536 G537 D538	P531-A534 VanDerWaalsContact O-CB 3.22Å; P531-A534 WeakPolarHBondContact O-CB 3.28Å; P531-A534 PolarHBondContact O-N 3.38Å; A534-S536 PolarHBondContact O-N 3.33Å; A534-G537 CarbonylContact O-C 3.55Å; A534-G537 WeakPolarHBondContact O-CA 3.5Å; A534-G537 PolarHBondContact O-N 3.08Å; A534-G537 VanDerWaalsContact O-N 3.17Å; A534-D538 PolarHBondContact O-N 3.42Å
535	Q	97.5	Very high	96.3	Very high	145 Å²	145	47 Å²	47	68%	0.678	27%	0.268	S	S	*	.	H	α-helix	trans	-61.2	-46.5	179.8	-176.7	178.9	-2.5	0	0	112.3	L533 G537 D538 L539	L533-Q535 VanDerWaalsContact C-N 3.3Å; L533-Q535 PolarHBondContact O-N 3.25Å; Q535-G537 VanDerWaalsContact C-N 3.29Å; Q535-G537 PolarHBondContact O-N 3.33Å; Q535-D538 PolarHBondContact O-N 2.92Å; Q535-L539 WeakPolarHBondContact O-CG 3.41Å; Q535-L539 PolarHBondContact O-N 3.38Å
536	S	98.6	Very high	96.3	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-32.3	176.6	-68.5	0	0	0	0	112	L533 A534 T540 D608	L533-S536 PolarHBondContact O-N 2.91Å; A534-S536 PolarHBondContact O-N 3.33Å; S536-T540 PolarHBondContact O-N 2.9Å; S536-T540 VanDerWaalsContact O-N 3.09Å; S536-T540 PolarHBondContact O-OG1 3.18Å; S536-D608 WeakPolarHBondContact CB-OD1 3.07Å; S536-D608 WeakPolarHBondContact OG-CA 3.44Å; S536-D608 PolarHBondContact OG-OD1 3.42Å
537	G	98.1	Very high	96.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-48.7	167.7	0	0	0	0	0	112.7	L533 A534 Q535 L539 T540 V541	L533-G537 PolarHBondContact O-N 3.35Å; A534-G537 CarbonylContact O-C 3.55Å; A534-G537 WeakPolarHBondContact O-CA 3.5Å; A534-G537 PolarHBondContact O-N 3.08Å; A534-G537 VanDerWaalsContact O-N 3.17Å; Q535-G537 VanDerWaalsContact C-N 3.29Å; Q535-G537 PolarHBondContact O-N 3.33Å; G537-L539 PolarHBondContact O-N 3.43Å; G537-T540 WeakPolarHBondContact O-CB 3.44Å; G537-T540 PolarHBondContact O-N 3.27Å; G537-T540 VanDerWaalsContact O-N 3.14Å; G537-V541 WeakPolarHBondContact O-CG2 3.36Å; G537-V541 PolarHBondContact O-N 2.78Å
538	D	96.7	Very high	96.8	Very high	100 Å²	100	37.6 Å²	37.6	54%	0.535	20%	0.203	S	C	.	.	H	α-helix	trans	-64	-41.3	-179.7	-70.4	-21.4	0	0	0	112.2	A534 Q535 T540 V541 K542	A534-D538 PolarHBondContact O-N 3.42Å; Q535-D538 PolarHBondContact O-N 2.92Å; D538-T540 VanDerWaalsContact C-N 3.29Å; D538-T540 PolarHBondContact O-N 3.41Å; D538-V541 PolarHBondContact O-N 2.92Å; D538-K542 WeakPolarHBondContact O-CB 3.17Å; D538-K542 PolarHBondContact O-N 2.79Å
539	L	97.9	Very high	96.7	Very high	38 Å²	38	36.6 Å²	36.6	20%	0.199	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-45.1	172	-69.3	177.1	0	0	0	111.2	Q535 G537 K542 A543 M612 H615	Q535-L539 WeakPolarHBondContact O-CG 3.41Å; Q535-L539 PolarHBondContact O-N 3.38Å; G537-L539 PolarHBondContact O-N 3.43Å; L539-K542 PolarHBondContact O-N 2.9Å; L539-A543 WeakPolarHBondContact O-CB 3.45Å; L539-A543 PolarHBondContact O-N 3.35Å; L539-M612 HydrophobicContact CD1-CG 4.14Å; L539-H615 HydrophobicContact CB-CB 4.28Å; L539-H615 PolarHBondContact O-CD2 3.03Å
540	T	98.2	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-46.4	179.9	-54.1	0	0	0	0	111.8	L525 S536 G537 D538 K542 A543 I544 M582 V583 L586	L525-T540 HydrophobicContact CD1-CG2 4.27Å; S536-T540 PolarHBondContact O-N 2.9Å; S536-T540 VanDerWaalsContact O-N 3.09Å; S536-T540 PolarHBondContact O-OG1 3.18Å; G537-T540 WeakPolarHBondContact O-CB 3.44Å; G537-T540 PolarHBondContact O-N 3.27Å; G537-T540 VanDerWaalsContact O-N 3.14Å; D538-T540 VanDerWaalsContact C-N 3.29Å; D538-T540 PolarHBondContact O-N 3.41Å; T540-K542 PolarHBondContact O-N 2.99Å; T540-A543 PolarHBondContact O-N 3.43Å; T540-I544 HydrophobicContact CG2-CD1 4Å; T540-I544 VanDerWaalsContact O-CG1 3.31Å; T540-I544 WeakPolarHBondContact O-CG1 3.48Å; T540-I544 PolarHBondContact O-N 3.02Å; T540-M582 HydrophobicContact CG2-CB 3.98Å; T540-M582 HydrophobicContact CG2-CE 4.4Å; T540-M582 WeakPolarHBondContact OG1-CE 3.43Å; T540-V583 HydrophobicContact CG2-CG1 3.55Å; T540-L586 HydrophobicContact CG2-CD1 4.24Å; T540-L586 VanDerWaalsContact OG1-CD1 3.26Å; T540-L586 WeakPolarHBondContact OG1-CD1 3.29Å
541	V	97	Very high	96.4	Very high	10 Å²	10	33.8 Å²	33.8	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-47.7	177.2	171.7	0	0	0	0	110.7	I86 L523 L525 G537 D538 A543 I544 E545	I86-V541 HydrophobicContact CD1-CB 4.48Å; I86-V541 HydrophobicContact CD1-CG1 4.41Å; I86-V541 HydrophobicContact CD1-CG2 3.81Å; L523-V541 HydrophobicContact CB-CG1 3.91Å; L523-V541 WeakPolarHBondContact O-CG1 3.39Å; L525-V541 HydrophobicContact CB-CG2 4.32Å; L525-V541 HydrophobicContact CD1-CG2 4.1Å; L525-V541 HydrophobicContact CG-CG2 3.84Å; G537-V541 WeakPolarHBondContact O-CG2 3.36Å; G537-V541 PolarHBondContact O-N 2.78Å; D538-V541 PolarHBondContact O-N 2.92Å; V541-A543 VanDerWaalsContact C-N 3.32Å; V541-A543 PolarHBondContact O-N 2.88Å; V541-I544 PolarHBondContact O-N 3.23Å; V541-E545 PolarHBondContact O-N 3.06Å
542	K	95.2	Very high	96.1	Very high	108 Å²	108	31.1 Å²	31.1	47%	0.47	16%	0.159	S	C	.	.	H	α-helix	trans	-59.8	-42.6	178.5	-176.7	179.8	178.2	-177	0	111.9	D538 L539 T540 E545 Q546	D538-K542 WeakPolarHBondContact O-CB 3.17Å; D538-K542 PolarHBondContact O-N 2.79Å; L539-K542 PolarHBondContact O-N 2.9Å; T540-K542 PolarHBondContact O-N 2.99Å; K542-E545 PolarHBondContact O-N 3.48Å; K542-Q546 WeakPolarHBondContact O-CG 3.26Å; K542-Q546 PolarHBondContact O-N 2.96Å
543	A	97.1	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-42.5	177.5	0	0	0	0	0	112	L539 T540 V541 Q546 F547 L579 V618	L539-A543 WeakPolarHBondContact O-CB 3.45Å; L539-A543 PolarHBondContact O-N 3.35Å; T540-A543 PolarHBondContact O-N 3.43Å; V541-A543 VanDerWaalsContact C-N 3.32Å; V541-A543 PolarHBondContact O-N 2.88Å; A543-Q546 PolarHBondContact O-N 2.93Å; A543-F547 VanDerWaalsContact O-CB 3.26Å; A543-F547 WeakPolarHBondContact O-CB 3.46Å; A543-F547 PolarHBondContact O-N 2.87Å; A543-L579 HydrophobicContact CB-CD2 3.54Å; A543-V618 HydrophobicContact CB-CG1 4.04Å
544	I	96.6	Very high	95.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176	-66.1	164.7	0	0	0	111.4	F77 M81 I86 T540 V541 F547 G548 L579	F77-I544 HydrophobicContact CE2-CD1 4.42Å; F77-I544 HydrophobicContact CZ-CD1 3.65Å; M81-I544 HydrophobicContact CB-CG2 4.3Å; I86-I544 HydrophobicContact CD1-CD1 4.25Å; I86-I544 HydrophobicContact CG1-CD1 4.02Å; I86-I544 HydrophobicContact CG1-CG2 4.35Å; T540-I544 HydrophobicContact CG2-CD1 4Å; T540-I544 VanDerWaalsContact O-CG1 3.31Å; T540-I544 WeakPolarHBondContact O-CG1 3.48Å; T540-I544 PolarHBondContact O-N 3.02Å; V541-I544 PolarHBondContact O-N 3.23Å; I544-F547 PolarHBondContact O-N 3.37Å; I544-G548 PolarHBondContact O-N 3.29Å; I544-L579 HydrophobicContact CG1-CD1 4.39Å; I544-L579 HydrophobicContact CG1-CD2 3.86Å
545	E	93.3	Very high	95.2	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-50.3	176.5	-78.8	-175.3	149.8	0	0	111.2	T521 L523 V541 K542 F547 G548 I549	T521-E545 VanDerWaalsContact CB-OE1 3.3Å; T521-E545 WeakPolarHBondContact CB-OE1 3.19Å; T521-E545 WeakPolarHBondContact CG2-OE1 3.45Å; T521-E545 PolarHBondContact N-OE1 3.33Å; T521-E545 PolarHBondContact OG1-OE1 3.48Å; L523-E545 HydrophobicContact CD1-CG 3.74Å; V541-E545 PolarHBondContact O-N 3.06Å; K542-E545 PolarHBondContact O-N 3.48Å; E545-F547 PolarHBondContact O-N 2.86Å; E545-G548 PolarHBondContact O-N 3.4Å; E545-I549 VanDerWaalsContact O-CG1 3.28Å; E545-I549 WeakPolarHBondContact O-CG1 3.16Å; E545-I549 PolarHBondContact O-N 3.41Å; E545-I549 VanDerWaalsContact O-N 3.15Å
546	Q	94.3	Very high	94.9	Very high	40 Å²	40	29 Å²	29	19%	0.187	15%	0.148	C	C	.	.	H	α-helix	trans	-64.8	-40.1	179.3	-68	-59	-44.8	0	0	112.1	K542 A543 I549 V550 M619 I622	K542-Q546 WeakPolarHBondContact O-CG 3.26Å; K542-Q546 PolarHBondContact O-N 2.96Å; A543-Q546 PolarHBondContact O-N 2.93Å; Q546-I549 PolarHBondContact O-N 3.44Å; Q546-V550 WeakPolarHBondContact O-CG2 3.23Å; Q546-V550 PolarHBondContact O-N 2.85Å; Q546-V550 VanDerWaalsContact O-N 3.08Å; Q546-M619 HydrophobicContact CB-SD 4.22Å; Q546-M619 HydrophobicContact CG-CE 4.19Å; Q546-M619 HydrophobicContact CG-SD 4.15Å; Q546-I622 HydrophobicContact CB-CD1 3.66Å
547	F	96.6	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-49.7	175.8	-179.6	-111.5	0	0	0	111.4	M81 F82 A543 I544 E545 I549 V550 I551 V572 C575 A576 L579 I622	M81-F547 HydrophobicContact CG-CE1 4.33Å; F82-F547 HydrophobicContact CB-CE1 4.5Å; F82-F547 HydrophobicContact CD1-CE1 4.03Å; F82-F547 AromaticContact CD1-CZ 3.99Å; F82-F547 HydrophobicContact CD1-CZ 3.99Å; F82-F547 AromaticContact CD2-CE1 3.87Å; F82-F547 HydrophobicContact CD2-CE1 3.87Å; F82-F547 HydrophobicContact CD2-CZ 4.28Å; F82-F547 HydrophobicContact CE1-CE1 4.24Å; F82-F547 AromaticContact CE1-CZ 3.79Å; F82-F547 HydrophobicContact CE1-CZ 3.79Å; F82-F547 HydrophobicContact CE2-CE1 4.11Å; F82-F547 HydrophobicContact CE2-CZ 4.11Å; F82-F547 AromaticContact CG-CE1 3.87Å; F82-F547 HydrophobicContact CG-CE1 3.87Å; F82-F547 HydrophobicContact CG-CZ 4.26Å; F82-F547 HydrophobicContact CZ-CE1 4.29Å; F82-F547 AromaticContact CZ-CZ 3.86Å; F82-F547 HydrophobicContact CZ-CZ 3.86Å; A543-F547 VanDerWaalsContact O-CB 3.26Å; A543-F547 WeakPolarHBondContact O-CB 3.46Å; A543-F547 PolarHBondContact O-N 2.87Å; I544-F547 PolarHBondContact O-N 3.37Å; E545-F547 PolarHBondContact O-N 2.86Å; F547-I549 VanDerWaalsContact C-N 3.3Å; F547-I549 PolarHBondContact O-N 3.28Å; F547-V550 PolarHBondContact O-N 2.97Å; F547-V550 VanDerWaalsContact O-N 3.1Å; F547-I551 HydrophobicContact CD1-CG1 4.22Å; F547-I551 HydrophobicContact CD2-CG1 4.42Å; F547-I551 HydrophobicContact CE1-CD1 4.29Å; F547-I551 HydrophobicContact CE1-CG1 3.92Å; F547-I551 HydrophobicContact CE2-CD1 3.89Å; F547-I551 HydrophobicContact CE2-CG1 4.13Å; F547-I551 HydrophobicContact CG-CG1 4.47Å; F547-I551 HydrophobicContact CZ-CD1 3.75Å; F547-I551 HydrophobicContact CZ-CG1 3.88Å; F547-I551 WeakPolarHBondContact O-CG1 3.28Å; F547-I551 PolarHBondContact O-N 2.97Å; F547-V572 HydrophobicContact CE2-CG1 4.11Å; F547-V572 HydrophobicContact CZ-CG1 4.06Å; F547-C575 HydrophobicContact CD2-CB 3.65Å; F547-C575 HydrophobicContact CE2-CB 3.55Å; F547-A576 HydrophobicContact CZ-CB 4.27Å; F547-L579 HydrophobicContact CB-CD1 3.73Å; F547-L579 HydrophobicContact CD1-CD1 3.63Å; F547-L579 HydrophobicContact CD2-CD1 4.24Å; F547-L579 HydrophobicContact CE1-CD1 4.26Å; F547-L579 HydrophobicContact CG-CD1 3.6Å; F547-I622 HydrophobicContact CB-CD1 4.26Å
548	G	93.6	Very high	94.2	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-38.8	178	0	0	0	0	0	113.5	I544 E545 I551 E552	I544-G548 PolarHBondContact O-N 3.29Å; E545-G548 PolarHBondContact O-N 3.4Å; G548-I551 PolarHBondContact O-N 3.11Å; G548-E552 PolarHBondContact O-N 3.41Å; G548-E552 VanDerWaalsContact O-N 3.14Å
549	I	91.2	Very high	93.9	Very high	24 Å²	24	32.4 Å²	32.4	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-63.3	-46.9	175	-60.6	161.4	0	0	0	110.5	R515 E545 Q546 F547 I551 E552 E553	R515-I549 HydrophobicContact CB-CD1 3.74Å; R515-I549 HydrophobicContact CB-CG1 4.01Å; R515-I549 HydrophobicContact CG-CD1 4.02Å; R515-I549 HydrophobicContact CG-CG1 4.05Å; E545-I549 VanDerWaalsContact O-CG1 3.28Å; E545-I549 WeakPolarHBondContact O-CG1 3.16Å; E545-I549 PolarHBondContact O-N 3.41Å; E545-I549 VanDerWaalsContact O-N 3.15Å; Q546-I549 PolarHBondContact O-N 3.44Å; F547-I549 VanDerWaalsContact C-N 3.3Å; F547-I549 PolarHBondContact O-N 3.28Å; I549-I551 VanDerWaalsContact C-N 3.33Å; I549-I551 PolarHBondContact O-N 3.23Å; I549-E552 PolarHBondContact O-N 3.39Å; I549-E553 HydrophobicContact CG2-CG 4.45Å; I549-E553 WeakPolarHBondContact CG2-OE1 3.35Å; I549-E553 WeakPolarHBondContact O-CG 3.23Å; I549-E553 PolarHBondContact O-N 2.94Å
550	V	94.8	Very high	93.5	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-39.9	179	171.3	0	0	0	0	111.7	Q546 F547 E552 E553 L554 I622 L625 R626	Q546-V550 WeakPolarHBondContact O-CG2 3.23Å; Q546-V550 PolarHBondContact O-N 2.85Å; Q546-V550 VanDerWaalsContact O-N 3.08Å; F547-V550 PolarHBondContact O-N 2.97Å; F547-V550 VanDerWaalsContact O-N 3.1Å; V550-E552 VanDerWaalsContact C-N 3.33Å; V550-E552 PolarHBondContact O-N 3.44Å; V550-E553 PolarHBondContact O-N 2.83Å; V550-L554 HydrophobicContact CG1-CD1 3.72Å; V550-L554 HydrophobicContact CG1-CG 4.14Å; V550-L554 WeakPolarHBondContact O-CB 3.35Å; V550-L554 VanDerWaalsContact O-CG 3.22Å; V550-L554 WeakPolarHBondContact O-CG 3.5Å; V550-L554 PolarHBondContact O-N 3.2Å; V550-I622 HydrophobicContact CG2-CB 4.38Å; V550-I622 HydrophobicContact CG2-CG1 4.19Å; V550-I622 HydrophobicContact CG2-CG2 3.76Å; V550-L625 HydrophobicContact CG1-CB 3.88Å; V550-L625 HydrophobicContact CG1-CD1 3.8Å; V550-L625 HydrophobicContact CG1-CG 4.45Å; V550-R626 HydrophobicContact CG2-CG 4.27Å
551	I	95.4	Very high	93.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-45.4	175.9	-66.9	-56.5	0	0	0	111	F82 F481 A484 F547 G548 I549 L554 L555 V572	F82-I551 HydrophobicContact CD1-CD1 3.74Å; F82-I551 HydrophobicContact CD1-CG1 3.96Å; F82-I551 HydrophobicContact CD1-CG2 4.33Å; F82-I551 HydrophobicContact CE1-CD1 3.98Å; F82-I551 VanDerWaalsContact O-CG2 3.24Å; F82-I551 WeakPolarHBondContact O-CG2 3.12Å; F481-I551 HydrophobicContact CD1-CD1 4.48Å; F481-I551 HydrophobicContact CD1-CG2 3.82Å; F481-I551 HydrophobicContact CE1-CB 4.31Å; F481-I551 HydrophobicContact CE1-CD1 3.75Å; F481-I551 HydrophobicContact CE1-CG2 3.7Å; F481-I551 HydrophobicContact CE2-CD1 4.41Å; F481-I551 HydrophobicContact CZ-CD1 3.7Å; A484-I551 HydrophobicContact CB-CG2 3.98Å; F547-I551 HydrophobicContact CD1-CG1 4.22Å; F547-I551 HydrophobicContact CD2-CG1 4.42Å; F547-I551 HydrophobicContact CE1-CD1 4.29Å; F547-I551 HydrophobicContact CE1-CG1 3.92Å; F547-I551 HydrophobicContact CE2-CD1 3.89Å; F547-I551 HydrophobicContact CE2-CG1 4.13Å; F547-I551 HydrophobicContact CG-CG1 4.47Å; F547-I551 HydrophobicContact CZ-CD1 3.75Å; F547-I551 HydrophobicContact CZ-CG1 3.88Å; F547-I551 WeakPolarHBondContact O-CG1 3.28Å; F547-I551 PolarHBondContact O-N 2.97Å; G548-I551 PolarHBondContact O-N 3.11Å; I549-I551 VanDerWaalsContact C-N 3.33Å; I549-I551 PolarHBondContact O-N 3.23Å; I551-L554 PolarHBondContact O-N 3.43Å; I551-L555 HydrophobicContact CG2-CD1 4.15Å; I551-L555 WeakPolarHBondContact O-CG 3.38Å; I551-L555 PolarHBondContact O-N 3.41Å; I551-V572 HydrophobicContact CD1-CG1 3.59Å; I551-V572 HydrophobicContact CD1-CG2 4.1Å
552	E	90.9	Very high	93.1	Very high	44 Å²	44	47.1 Å²	47.1	21%	0.206	23%	0.23	C	C	.	.	H	α-helix	trans	-62.8	-46.1	177.2	-171.9	177.2	175.4	0	0	112	R512 R515 G548 I549 V550 L554 L555 V556	R512-E552 IonicContact CZ-OE1 2.77Å; R512-E552 IonicContact NE-OE1 3.53Å; R512-E552 PolarHBondContact NE-OE1 3.38Å; R512-E552 IonicContact NE-OE2 3.62Å; R512-E552 IonicContact NH2-OE1 3.11Å; R512-E552 PolarHBondContact NH2-OE1 2.92Å; R515-E552 IonicContact NH1-OE2 2.81Å; G548-E552 PolarHBondContact O-N 3.41Å; G548-E552 VanDerWaalsContact O-N 3.14Å; I549-E552 PolarHBondContact O-N 3.39Å; V550-E552 VanDerWaalsContact C-N 3.33Å; V550-E552 PolarHBondContact O-N 3.44Å; E552-L554 VanDerWaalsContact C-N 3.34Å; E552-L554 PolarHBondContact O-N 2.96Å; E552-L555 PolarHBondContact O-N 3.35Å; E552-V556 WeakPolarHBondContact O-CG2 3.47Å; E552-V556 PolarHBondContact O-N 3.42Å
553	E	92.1	Very high	93	Very high	82 Å²	82	43.2 Å²	43.2	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-45.1	175.9	-73.2	169.3	-169	0	0	112	I549 V550 V556 K557 R626	I549-E553 HydrophobicContact CG2-CG 4.45Å; I549-E553 WeakPolarHBondContact CG2-OE1 3.35Å; I549-E553 WeakPolarHBondContact O-CG 3.23Å; I549-E553 PolarHBondContact O-N 2.94Å; V550-E553 PolarHBondContact O-N 2.83Å; E553-V556 PolarHBondContact O-N 3.13Å; E553-K557 VanDerWaalsContact O-CB 3.23Å; E553-K557 WeakPolarHBondContact O-CB 3.42Å; E553-K557 PolarHBondContact O-N 2.79Å; E553-R626 IonicContact OE1-CZ 3.1Å; E553-R626 IonicContact OE1-NE 3.35Å; E553-R626 PolarHBondContact OE1-NE 3.19Å; E553-R626 IonicContact OE1-NH2 3.82Å; E553-R626 PolarHBondContact OE1-NH2 3.29Å; E553-R626 IonicContact OE2-CZ 3.59Å; E553-R626 IonicContact OE2-NE 3.7Å; E553-R626 PolarHBondContact OE2-NE 2.91Å; E553-R626 IonicContact OE2-NH2 2.77Å; E553-R626 PolarHBondContact OE2-NH2 3.44Å
554	L	94	Very high	92.8	Very high	6 Å²	6	48 Å²	48	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-40.4	179.4	-70.4	172.7	0	0	0	112	F481 V550 I551 E552 K557 H558 I562 V568 V572 L625	F481-L554 HydrophobicContact CE1-CB 4.06Å; F481-L554 HydrophobicContact CZ-CB 4.06Å; F481-L554 HydrophobicContact CZ-CD1 3.98Å; V550-L554 HydrophobicContact CG1-CD1 3.72Å; V550-L554 HydrophobicContact CG1-CG 4.14Å; V550-L554 WeakPolarHBondContact O-CB 3.35Å; V550-L554 VanDerWaalsContact O-CG 3.22Å; V550-L554 WeakPolarHBondContact O-CG 3.5Å; V550-L554 PolarHBondContact O-N 3.2Å; I551-L554 PolarHBondContact O-N 3.43Å; E552-L554 VanDerWaalsContact C-N 3.34Å; E552-L554 PolarHBondContact O-N 2.96Å; L554-K557 PolarHBondContact O-N 2.97Å; L554-H558 WeakPolarHBondContact O-CB 3.43Å; L554-H558 PolarHBondContact O-CD2 2.92Å; L554-H558 PolarHBondContact O-N 3.13Å; L554-I562 HydrophobicContact CB-CD1 4.4Å; L554-V568 HydrophobicContact CD1-CG1 3.7Å; L554-V568 HydrophobicContact CD2-CG1 3.82Å; L554-V568 HydrophobicContact CG-CG1 4.37Å; L554-V572 HydrophobicContact CD1-CG2 3.84Å; L554-L625 HydrophobicContact CD1-CD2 4.29Å
555	L	90.8	Very high	92.8	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-63	-44.1	174.9	-79.6	171.6	0	0	0	112	F481 A484 L488 I551 E552 K557 G559	F481-L555 HydrophobicContact CB-CD2 4.25Å; F481-L555 HydrophobicContact CD1-CD1 4.05Å; F481-L555 HydrophobicContact CD1-CD2 3.56Å; F481-L555 HydrophobicContact CD1-CG 3.53Å; F481-L555 HydrophobicContact CE1-CD2 4.29Å; F481-L555 HydrophobicContact CE1-CG 3.92Å; F481-L555 HydrophobicContact CG-CD2 4.26Å; A484-L555 HydrophobicContact CB-CD1 3.81Å; L488-L555 HydrophobicContact CD2-CB 4.39Å; I551-L555 HydrophobicContact CG2-CD1 4.15Å; I551-L555 WeakPolarHBondContact O-CG 3.38Å; I551-L555 PolarHBondContact O-N 3.41Å; E552-L555 PolarHBondContact O-N 3.35Å; L555-K557 VanDerWaalsContact C-N 3.34Å; L555-G559 VanDerWaalsContact O-CA 3.27Å; L555-G559 WeakPolarHBondContact O-CA 3.46Å; L555-G559 PolarHBondContact O-N 2.79Å
556	V	90	Very high	92.9	Very high	104 Å²	104	53 Å²	53	63%	0.63	26%	0.264	S	S	*	.	H	α-helix	trans	-63	-43.3	176.8	170.2	0	0	0	0	110.6	L488 E552 E553	L488-V556 HydrophobicContact CD2-CG2 4.26Å; E552-V556 WeakPolarHBondContact O-CG2 3.47Å; E552-V556 PolarHBondContact O-N 3.42Å; E553-V556 PolarHBondContact O-N 3.13Å
557	K	91.1	Very high	93	Very high	111 Å²	111	54.1 Å²	54.1	48%	0.483	27%	0.268	S	S	.	.	H	α-helix	trans	-71.1	-45.6	-176.5	179.6	-179.1	166.6	-143.9	0	113.6	E553 L554 L555	E553-K557 VanDerWaalsContact O-CB 3.23Å; E553-K557 WeakPolarHBondContact O-CB 3.42Å; E553-K557 PolarHBondContact O-N 2.79Å; L554-K557 PolarHBondContact O-N 2.97Å; L555-K557 VanDerWaalsContact C-N 3.34Å
558	H	91.7	Very high	93	Very high	28 Å²	28	54.5 Å²	54.5	13%	0.13	27%	0.27	C	S	.	.	H	α-helix	trans	-103.3	-23.3	-170.8	-65.7	-86.3	0	0	0	113.3	L554 K560 K561 I562 E565	L554-H558 WeakPolarHBondContact O-CB 3.43Å; L554-H558 PolarHBondContact O-CD2 2.92Å; L554-H558 PolarHBondContact O-N 3.13Å; H558-K560 PolarHBondContact O-N 3.43Å; H558-K561 WeakPolarHBondContact O-CB 3.43Å; H558-K561 PolarHBondContact O-N 3.04Å; H558-I562 HydrophobicContact CB-CB 3.97Å; H558-I562 HydrophobicContact CB-CD1 3.96Å; H558-E565 IonicContact CE1-OE1 3.49Å; H558-E565 PolarHBondContact CE1-OE1 3.29Å; H558-E565 IonicContact ND1-OE1 3.24Å; H558-E565 PolarHBondContact ND1-OE1 3.21Å
559	G	90.4	Very high	93.2	Very high	37 Å²	37	54.4 Å²	54.4	38%	0.381	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	52.2	-132.4	-175	0	0	0	0	0	111.6	L555 K561 I562	L555-G559 VanDerWaalsContact O-CA 3.27Å; L555-G559 WeakPolarHBondContact O-CA 3.46Å; L555-G559 PolarHBondContact O-N 2.79Å; G559-K561 PolarHBondContact O-N 3.19Å; G559-I562 VanDerWaalsContact O-CG2 3.3Å; G559-I562 WeakPolarHBondContact O-CG2 3.49Å; G559-I562 PolarHBondContact O-N 3.39Å
560	K	89.2	Confident	93.5	Very high	195 Å²	195	57.4 Å²	57.4	85%	0.848	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-65.1	-22	177.5	-66.5	-174.1	179.9	-178.8	0	113.9	H558 I562 I563	H558-K560 PolarHBondContact O-N 3.43Å; K560-I562 PolarHBondContact O-N 2.63Å; K560-I563 WeakPolarHBondContact O-CG2 3.42Å
561	K	93.5	Very high	93.6	Very high	151 Å²	151	59.1 Å²	59.1	66%	0.657	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-74.4	-4.5	-179.2	-61	-177.1	176.9	179.8	0	113	H558 G559 I563 D564	H558-K561 WeakPolarHBondContact O-CB 3.43Å; H558-K561 PolarHBondContact O-N 3.04Å; G559-K561 PolarHBondContact O-N 3.19Å; K561-I563 PolarHBondContact O-N 3.3Å; K561-I563 VanDerWaalsContact O-N 3.1Å; K561-D564 PolarHBondContact O-N 3.19Å
562	I	93	Very high	93.8	Very high	11 Å²	11	59 Å²	59	6%	0.056	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-56.8	-25.8	175.1	-166.1	62.1	0	0	0	112.3	F481 L554 H558 G559 K560 D564 E565 V568 L569	F481-I562 HydrophobicContact CD2-CG1 4.07Å; F481-I562 HydrophobicContact CE1-CG1 4.49Å; F481-I562 HydrophobicContact CE2-CD1 4.33Å; F481-I562 HydrophobicContact CE2-CG1 3.87Å; F481-I562 HydrophobicContact CZ-CD1 4.23Å; F481-I562 HydrophobicContact CZ-CG1 4.08Å; L554-I562 HydrophobicContact CB-CD1 4.4Å; H558-I562 HydrophobicContact CB-CB 3.97Å; H558-I562 HydrophobicContact CB-CD1 3.96Å; G559-I562 VanDerWaalsContact O-CG2 3.3Å; G559-I562 WeakPolarHBondContact O-CG2 3.49Å; G559-I562 PolarHBondContact O-N 3.39Å; K560-I562 PolarHBondContact O-N 2.63Å; I562-D564 PolarHBondContact O-N 2.92Å; I562-E565 HydrophobicContact CD1-CB 4.3Å; I562-E565 PolarHBondContact O-N 3.41Å; I562-E565 VanDerWaalsContact O-N 3.13Å; I562-V568 HydrophobicContact CD1-CG1 4.22Å; I562-L569 HydrophobicContact CG1-CD2 4.07Å; I562-L569 WeakPolarHBondContact O-CD1 3.24Å
563	I	93.2	Very high	94.2	Very high	26 Å²	26	57 Å²	57	13%	0.133	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.8	-28.4	175.4	-163.7	172.7	0	0	0	113.6	A47 L51 L478 K560 K561	A47-I563 HydrophobicContact CB-CD1 3.66Å; A47-I563 HydrophobicContact CB-CG1 3.5Å; L51-I563 HydrophobicContact CD1-CD1 3.87Å; L478-I563 HydrophobicContact CD1-CG1 4.28Å; L478-I563 HydrophobicContact CD2-CB 4.36Å; L478-I563 HydrophobicContact CD2-CG1 4.32Å; K560-I563 WeakPolarHBondContact O-CG2 3.42Å; K561-I563 PolarHBondContact O-N 3.3Å; K561-I563 VanDerWaalsContact O-N 3.1Å
564	D	93.3	Very high	94.5	Very high	101 Å²	101	54.3 Å²	54.3	54%	0.54	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-90.3	-7.2	-178.4	-59	-45.2	0	0	0	112.5	K561 I562 Q566	K561-D564 PolarHBondContact O-N 3.19Å; I562-D564 PolarHBondContact O-N 2.92Å; D564-Q566 PolarHBondContact O-N 2.83Å
565	E	95.6	Very high	94.7	Very high	46 Å²	46	54 Å²	54	22%	0.215	26%	0.264	C	S	.	.			trans	-94.8	57.5	-172.3	-61.1	-69.6	179.7	0	0	112	H558 I562 F567 V568 L569 R638	H558-E565 IonicContact CE1-OE1 3.49Å; H558-E565 PolarHBondContact CE1-OE1 3.29Å; H558-E565 IonicContact ND1-OE1 3.24Å; H558-E565 PolarHBondContact ND1-OE1 3.21Å; I562-E565 HydrophobicContact CD1-CB 4.3Å; I562-E565 PolarHBondContact O-N 3.41Å; I562-E565 VanDerWaalsContact O-N 3.13Å; E565-F567 VanDerWaalsContact C-N 3.3Å; E565-F567 PolarHBondContact O-N 2.99Å; E565-V568 HydrophobicContact CB-CB 4.02Å; E565-V568 HydrophobicContact CB-CG2 4.1Å; E565-V568 WeakPolarHBondContact O-CA 3.33Å; E565-V568 VanDerWaalsContact O-CB 3.28Å; E565-V568 WeakPolarHBondContact O-CB 3.49Å; E565-V568 PolarHBondContact O-N 3.13Å; E565-L569 WeakPolarHBondContact O-CG 3.34Å; E565-L569 PolarHBondContact O-N 2.81Å; E565-R638 IonicContact OE2-NH2 3.41Å
566	Q	96.4	Very high	95.1	Very high	82 Å²	82	53 Å²	53	38%	0.383	26%	0.259	S	S	.	.	H	α-helix	trans	-59.6	-32.8	-171.1	-66.2	-169	1	0	0	115	L474 D564 V568 L569 K570	L474-Q566 HydrophobicContact CD1-CG 4.34Å; L474-Q566 HydrophobicContact CD2-CB 4.25Å; L474-Q566 HydrophobicContact CD2-CG 4.03Å; D564-Q566 PolarHBondContact O-N 2.83Å; Q566-V568 PolarHBondContact O-N 3.16Å; Q566-L569 PolarHBondContact O-N 2.98Å; Q566-K570 WeakPolarHBondContact O-CB 3.16Å; Q566-K570 PolarHBondContact O-N 2.9Å
567	F	96.1	Very high	95.5	Very high	62 Å²	62	48.5 Å²	48.5	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-32.9	173.6	-62.8	-63.4	0	0	0	112.8	E565 R571 F634 M637 R638	E565-F567 VanDerWaalsContact C-N 3.3Å; E565-F567 PolarHBondContact O-N 2.99Å; F567-R571 PolarHBondContact O-NH1 2.99Å; F567-F634 HydrophobicContact CB-CD1 3.76Å; F567-F634 HydrophobicContact CB-CD2 3.82Å; F567-F634 HydrophobicContact CB-CE1 3.79Å; F567-F634 HydrophobicContact CB-CE2 3.82Å; F567-F634 HydrophobicContact CB-CG 3.8Å; F567-F634 HydrophobicContact CB-CZ 3.81Å; F567-F634 HydrophobicContact CD1-CD1 4.35Å; F567-F634 HydrophobicContact CD2-CB 3.8Å; F567-F634 HydrophobicContact CD2-CD1 4.26Å; F567-F634 HydrophobicContact CD2-CD2 4.39Å; F567-F634 AromaticContact CD2-CG 3.9Å; F567-F634 HydrophobicContact CD2-CG 3.9Å; F567-F634 HydrophobicContact CE2-CB 4.23Å; F567-F634 HydrophobicContact CG-CB 4.32Å; F567-F634 AromaticContact CG-CD1 3.89Å; F567-F634 HydrophobicContact CG-CD1 3.89Å; F567-F634 HydrophobicContact CG-CD2 4.39Å; F567-F634 HydrophobicContact CG-CE1 4.35Å; F567-F634 AromaticContact CG-CG 3.94Å; F567-F634 HydrophobicContact CG-CG 3.94Å; F567-M637 HydrophobicContact CD1-SD 4.29Å; F567-M637 HydrophobicContact CE1-CB 4.24Å; F567-M637 HydrophobicContact CE1-SD 3.96Å; F567-M637 HydrophobicContact CZ-CB 3.99Å; F567-R638 HydrophobicContact CE2-CG 3.84Å; F567-R638 HydrophobicContact CZ-CG 4.31Å
568	V	96.5	Very high	95.9	Very high	9 Å²	9	44 Å²	44	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-77.2	-49.8	175.8	176.4	0	0	0	0	109.3	L554 I562 E565 Q566 K570 R571 V572 L625 F634	L554-V568 HydrophobicContact CD1-CG1 3.7Å; L554-V568 HydrophobicContact CD2-CG1 3.82Å; L554-V568 HydrophobicContact CG-CG1 4.37Å; I562-V568 HydrophobicContact CD1-CG1 4.22Å; E565-V568 HydrophobicContact CB-CB 4.02Å; E565-V568 HydrophobicContact CB-CG2 4.1Å; E565-V568 WeakPolarHBondContact O-CA 3.33Å; E565-V568 VanDerWaalsContact O-CB 3.28Å; E565-V568 WeakPolarHBondContact O-CB 3.49Å; E565-V568 PolarHBondContact O-N 3.13Å; Q566-V568 PolarHBondContact O-N 3.16Å; V568-K570 VanDerWaalsContact C-N 3.29Å; V568-K570 PolarHBondContact O-N 3.21Å; V568-R571 PolarHBondContact O-N 3.02Å; V568-V572 HydrophobicContact CG1-CG2 4.4Å; V568-V572 WeakPolarHBondContact O-CG2 3.49Å; V568-V572 PolarHBondContact O-N 3.41Å; V568-L625 HydrophobicContact CB-CD2 4.3Å; V568-L625 HydrophobicContact CG1-CD2 3.68Å; V568-F634 HydrophobicContact CG2-CE2 4.08Å
569	L	97.6	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.3	-41.8	-179.8	-65.9	174.5	0	0	0	112.2	L474 A477 L478 F481 I562 E565 Q566 V572 A573	L474-L569 HydrophobicContact CD2-CB 3.72Å; L474-L569 HydrophobicContact CD2-CD1 3.89Å; L474-L569 HydrophobicContact CD2-CG 4.48Å; A477-L569 HydrophobicContact CB-CB 4.09Å; A477-L569 HydrophobicContact CB-CD2 3.89Å; A477-L569 WeakPolarHBondContact CB-O 3.44Å; L478-L569 HydrophobicContact CD1-CD1 4.44Å; L478-L569 HydrophobicContact CD2-CD1 3.95Å; L478-L569 HydrophobicContact CD2-CD2 3.84Å; L478-L569 HydrophobicContact CG-CD1 4.16Å; L478-L569 HydrophobicContact CG-CD2 4.25Å; F481-L569 HydrophobicContact CD2-CD2 3.85Å; F481-L569 HydrophobicContact CE2-CD2 3.72Å; I562-L569 HydrophobicContact CG1-CD2 4.07Å; I562-L569 WeakPolarHBondContact O-CD1 3.24Å; E565-L569 WeakPolarHBondContact O-CG 3.34Å; E565-L569 PolarHBondContact O-N 2.81Å; Q566-L569 PolarHBondContact O-N 2.98Å; L569-V572 PolarHBondContact O-N 3.11Å; L569-A573 PolarHBondContact O-N 3.3Å
570	K	97.8	Very high	96.6	Very high	86 Å²	86	40.9 Å²	40.9	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-58.7	-49.6	177.4	-171.5	-168.9	173.9	-66.4	0	111.9	Q566 V568 V572 A573 D574	Q566-K570 WeakPolarHBondContact O-CB 3.16Å; Q566-K570 PolarHBondContact O-N 2.9Å; V568-K570 VanDerWaalsContact C-N 3.29Å; V568-K570 PolarHBondContact O-N 3.21Å; K570-V572 VanDerWaalsContact C-N 3.34Å; K570-V572 PolarHBondContact O-N 2.7Å; K570-A573 WeakPolarHBondContact O-CB 3.21Å; K570-A573 PolarHBondContact O-N 2.86Å; K570-A573 VanDerWaalsContact O-N 3.16Å; K570-D574 IonicContact NZ-OD1 3.42Å; K570-D574 IonicContact NZ-OD2 2.65Å; K570-D574 PolarHBondContact NZ-OD2 2.82Å; K570-D574 VanDerWaalsContact O-CG 3.28Å; K570-D574 PolarHBondContact O-N 2.82Å
571	R	97.9	Very high	97.1	Very high	37 Å²	37	31.6 Å²	31.6	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-37.3	179.6	-73.2	167.7	175.6	73.4	6.2	112.2	F567 V568 A573 D574 C575 L625	F567-R571 PolarHBondContact O-NH1 2.99Å; V568-R571 PolarHBondContact O-N 3.02Å; R571-A573 VanDerWaalsContact C-N 3.3Å; R571-A573 PolarHBondContact O-N 2.88Å; R571-D574 PolarHBondContact O-N 3.11Å; R571-C575 PolarHBondContact O-N 3Å; R571-C575 PolarHBondContact O-SG 3.4Å; R571-C575 VanDerWaalsContact O-SG 3.41Å; R571-L625 HydrophobicContact CB-CD1 4.44Å; R571-L625 HydrophobicContact CB-CD2 3.95Å; R571-L625 HydrophobicContact CB-CG 4.24Å
572	V	98.5	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-42.5	172.5	165.4	0	0	0	0	111	F82 A477 F481 F547 I551 L554 V568 L569 K570 A576 L625	F82-V572 HydrophobicContact CE1-CG1 3.56Å; F82-V572 HydrophobicContact CZ-CG1 4.11Å; A477-V572 HydrophobicContact CB-CB 4.27Å; A477-V572 HydrophobicContact CB-CG1 3.88Å; F481-V572 HydrophobicContact CE2-CB 4.42Å; F481-V572 HydrophobicContact CE2-CG1 3.96Å; F481-V572 HydrophobicContact CE2-CG2 4.2Å; F481-V572 HydrophobicContact CZ-CG1 4.3Å; F481-V572 HydrophobicContact CZ-CG2 4.09Å; F547-V572 HydrophobicContact CE2-CG1 4.11Å; F547-V572 HydrophobicContact CZ-CG1 4.06Å; I551-V572 HydrophobicContact CD1-CG1 3.59Å; I551-V572 HydrophobicContact CD1-CG2 4.1Å; L554-V572 HydrophobicContact CD1-CG2 3.84Å; V568-V572 HydrophobicContact CG1-CG2 4.4Å; V568-V572 WeakPolarHBondContact O-CG2 3.49Å; V568-V572 PolarHBondContact O-N 3.41Å; L569-V572 PolarHBondContact O-N 3.11Å; K570-V572 VanDerWaalsContact C-N 3.34Å; K570-V572 PolarHBondContact O-N 2.7Å; V572-A576 WeakPolarHBondContact O-CB 3.43Å; V572-A576 PolarHBondContact O-N 3Å; V572-L625 HydrophobicContact CG2-CD1 4Å; V572-L625 HydrophobicContact CG2-CD2 4.21Å
573	A	98.8	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.1	-40.4	176.1	0	0	0	0	0	112.3	R473 V476 A477 L569 K570 R571 A576 I577	R473-A573 HydrophobicContact CB-CB 3.63Å; R473-A573 HydrophobicContact CG-CB 3.86Å; R473-A573 VanDerWaalsContact O-CB 3.22Å; R473-A573 WeakPolarHBondContact O-CB 3.19Å; V476-A573 HydrophobicContact CB-CB 4.36Å; V476-A573 HydrophobicContact CG1-CB 4.24Å; A477-A573 HydrophobicContact CB-CB 4.35Å; L569-A573 PolarHBondContact O-N 3.3Å; K570-A573 WeakPolarHBondContact O-CB 3.21Å; K570-A573 PolarHBondContact O-N 2.86Å; K570-A573 VanDerWaalsContact O-N 3.16Å; R571-A573 VanDerWaalsContact C-N 3.3Å; R571-A573 PolarHBondContact O-N 2.88Å; A573-A576 WeakPolarHBondContact O-CB 3.3Å; A573-A576 PolarHBondContact O-N 3.31Å; A573-A576 VanDerWaalsContact O-N 3.14Å; A573-I577 WeakPolarHBondContact O-CD1 3.43Å; A573-I577 VanDerWaalsContact O-CG1 3.25Å; A573-I577 WeakPolarHBondContact O-CG1 3.3Å; A573-I577 PolarHBondContact O-N 3.44Å
574	D	98.8	Very high	97.9	Very high	26 Å²	26	22.7 Å²	22.7	14%	0.139	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-44.2	176.2	-66.1	-30.1	0	0	0	110.9	R473 K570 R571 A576 I577 D578	R473-D574 IonicContact CZ-OD1 3.62Å; R473-D574 IonicContact NE-OD1 2.89Å; R473-D574 PolarHBondContact NE-OD1 3.43Å; R473-D574 IonicContact NH2-OD1 3.41Å; R473-D574 PolarHBondContact NH2-OD1 3.18Å; K570-D574 IonicContact NZ-OD1 3.42Å; K570-D574 IonicContact NZ-OD2 2.65Å; K570-D574 PolarHBondContact NZ-OD2 2.82Å; K570-D574 VanDerWaalsContact O-CG 3.28Å; K570-D574 PolarHBondContact O-N 2.82Å; R571-D574 PolarHBondContact O-N 3.11Å; D574-A576 PolarHBondContact O-N 3.24Å; D574-I577 PolarHBondContact O-N 3.36Å; D574-D578 PolarHBondContact O-N 3.17Å; D574-D578 VanDerWaalsContact O-N 3.12Å
575	C	98.8	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-45.6	170.4	-69	0	0	0	0	112.5	F547 R571 I577 D578 L579 V618 D621	F547-C575 HydrophobicContact CD2-CB 3.65Å; F547-C575 HydrophobicContact CE2-CB 3.55Å; R571-C575 PolarHBondContact O-N 3Å; R571-C575 PolarHBondContact O-SG 3.4Å; R571-C575 VanDerWaalsContact O-SG 3.41Å; C575-I577 VanDerWaalsContact C-N 3.3Å; C575-I577 PolarHBondContact O-N 3.22Å; C575-D578 PolarHBondContact O-N 2.96Å; C575-L579 WeakPolarHBondContact O-CB 3.2Å; C575-L579 VanDerWaalsContact O-CG 3.23Å; C575-L579 WeakPolarHBondContact O-CG 3.38Å; C575-L579 PolarHBondContact O-N 3.37Å; C575-V618 HydrophobicContact CB-CG1 4.42Å; C575-D621 WeakPolarHBondContact SG-CB 3.48Å
576	A	98.8	Very high	98.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62	-37.9	-179.8	0	0	0	0	0	112.4	M81 F82 V476 F547 V572 A573 D574 Y580	M81-A576 HydrophobicContact CE-CB 3.41Å; M81-A576 VanDerWaalsContact CE-CB 3.41Å; M81-A576 WeakPolarHBondContact CE-O 3.4Å; F82-A576 HydrophobicContact CE2-CB 3.8Å; F82-A576 HydrophobicContact CZ-CB 3.85Å; V476-A576 HydrophobicContact CG1-CB 3.82Å; F547-A576 HydrophobicContact CZ-CB 4.27Å; V572-A576 WeakPolarHBondContact O-CB 3.43Å; V572-A576 PolarHBondContact O-N 3Å; A573-A576 WeakPolarHBondContact O-CB 3.3Å; A573-A576 PolarHBondContact O-N 3.31Å; A573-A576 VanDerWaalsContact O-N 3.14Å; D574-A576 PolarHBondContact O-N 3.24Å; A576-Y580 WeakPolarHBondContact O-CB 3.43Å; A576-Y580 PolarHBondContact O-N 3.22Å
577	I	98.9	Very high	98.4	Very high	10 Å²	10	11.9 Å²	11.9	5%	0.051	5%	0.054	C	C	.	.	H	α-helix	trans	-63.5	-51	176.3	-69.8	160.5	0	0	0	110.3	I421 I424 F425 R473 A573 D574 C575 Y580 A581	I421-I577 HydrophobicContact CB-CG1 4.35Å; I421-I577 HydrophobicContact CG1-CG1 3.97Å; I421-I577 HydrophobicContact CG2-CB 4.21Å; I421-I577 HydrophobicContact CG2-CG1 4Å; I421-I577 HydrophobicContact CG2-CG2 4.2Å; I424-I577 HydrophobicContact CB-CD1 4.23Å; I424-I577 HydrophobicContact CD1-CD1 4.06Å; I424-I577 HydrophobicContact CG2-CD1 3.7Å; F425-I577 HydrophobicContact CB-CG2 4.27Å; F425-I577 HydrophobicContact CD2-CG2 3.72Å; F425-I577 HydrophobicContact CG-CG2 4.48Å; R473-I577 HydrophobicContact CG-CD1 4.39Å; A573-I577 WeakPolarHBondContact O-CD1 3.43Å; A573-I577 VanDerWaalsContact O-CG1 3.25Å; A573-I577 WeakPolarHBondContact O-CG1 3.3Å; A573-I577 PolarHBondContact O-N 3.44Å; D574-I577 PolarHBondContact O-N 3.36Å; C575-I577 VanDerWaalsContact C-N 3.3Å; C575-I577 PolarHBondContact O-N 3.22Å; I577-Y580 PolarHBondContact O-N 3.07Å; I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.27Å
578	D	98.9	Very high	98.6	Very high	16 Å²	16	11 Å²	11	9%	0.086	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-42.6	179.6	-90.3	-31.1	0	0	0	111.8	D574 C575 Y580 A581 M582 A614 R617 V618	D574-D578 PolarHBondContact O-N 3.17Å; D574-D578 VanDerWaalsContact O-N 3.12Å; C575-D578 PolarHBondContact O-N 2.96Å; D578-Y580 PolarHBondContact O-N 3.45Å; D578-A581 WeakPolarHBondContact O-CB 3.33Å; D578-A581 PolarHBondContact O-N 3.29Å; D578-M582 WeakPolarHBondContact O-CG 3.41Å; D578-M582 PolarHBondContact O-N 3.03Å; D578-A614 HydrophobicContact CB-CB 4.26Å; D578-R617 IonicContact OD1-CZ 2.62Å; D578-R617 IonicContact OD1-NE 3.63Å; D578-R617 PolarHBondContact OD1-NE 3.29Å; D578-R617 IonicContact OD1-NH2 2.71Å; D578-R617 PolarHBondContact OD1-NH2 3.23Å; D578-R617 WeakPolarHBondContact OD2-CB 3.27Å; D578-R617 IonicContact OD2-CZ 2.79Å; D578-R617 IonicContact OD2-NE 3.7Å; D578-R617 PolarHBondContact OD2-NE 3.47Å; D578-R617 IonicContact OD2-NH2 3.03Å; D578-V618 HydrophobicContact CB-CG2 3.62Å
579	L	98.9	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-61.4	-43	177.4	-73.4	176.5	0	0	0	112.7	M81 A543 I544 F547 C575 M582 V583 V618	M81-L579 HydrophobicContact SD-CB 3.89Å; M81-L579 HydrophobicContact SD-CD1 4.34Å; A543-L579 HydrophobicContact CB-CD2 3.54Å; I544-L579 HydrophobicContact CG1-CD1 4.39Å; I544-L579 HydrophobicContact CG1-CD2 3.86Å; F547-L579 HydrophobicContact CB-CD1 3.73Å; F547-L579 HydrophobicContact CD1-CD1 3.63Å; F547-L579 HydrophobicContact CD2-CD1 4.24Å; F547-L579 HydrophobicContact CE1-CD1 4.26Å; F547-L579 HydrophobicContact CG-CD1 3.6Å; C575-L579 WeakPolarHBondContact O-CB 3.2Å; C575-L579 VanDerWaalsContact O-CG 3.23Å; C575-L579 WeakPolarHBondContact O-CG 3.38Å; C575-L579 PolarHBondContact O-N 3.37Å; L579-M582 HydrophobicContact CD2-SD 4.27Å; L579-M582 PolarHBondContact O-N 3.15Å; L579-V583 PolarHBondContact O-N 3.23Å; L579-V618 HydrophobicContact CD2-CG1 4.37Å; L579-V618 HydrophobicContact CD2-CG2 4.33Å; L579-V618 HydrophobicContact CG-CG2 4.23Å
580	Y	98.9	Very high	98.7	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	5%	0.048	C	C	.	.	H	α-helix	trans	-67.4	-41.1	176	-173.2	-119.5	0	0	0	111.3	F77 M400 M403 E418 I421 A576 I577 D578 M582 V583 V584	F77-Y580 HydrophobicContact CD1-CD2 4.08Å; M400-Y580 HydrophobicContact CE-CD1 3.92Å; M400-Y580 HydrophobicContact CG-CD1 4.4Å; M400-Y580 HydrophobicContact CG-CE1 4.17Å; M400-Y580 HydrophobicContact SD-CD1 4.29Å; M400-Y580 HydrophobicContact SD-CE1 4.49Å; M403-Y580 HydrophobicContact SD-CE2 4.31Å; E418-Y580 HydrophobicContact CB-CE1 3.91Å; E418-Y580 HydrophobicContact CB-CE2 4.29Å; E418-Y580 HydrophobicContact CG-CD2 4.13Å; E418-Y580 HydrophobicContact CG-CE1 4.03Å; E418-Y580 HydrophobicContact CG-CE2 3.51Å; E418-Y580 VanDerWaalsContact CG-CZ 3.45Å; I421-Y580 HydrophobicContact CB-CD1 4.24Å; I421-Y580 HydrophobicContact CD1-CD1 4.4Å; I421-Y580 HydrophobicContact CD1-CG 4.3Å; I421-Y580 HydrophobicContact CG2-CD1 3.67Å; I421-Y580 HydrophobicContact CG2-CG 4.37Å; A576-Y580 WeakPolarHBondContact O-CB 3.43Å; A576-Y580 PolarHBondContact O-N 3.22Å; I577-Y580 PolarHBondContact O-N 3.07Å; D578-Y580 PolarHBondContact O-N 3.45Å; Y580-M582 VanDerWaalsContact C-N 3.33Å; Y580-M582 PolarHBondContact O-N 3.35Å; Y580-V583 HydrophobicContact CD2-CG2 4.17Å; Y580-V583 VanDerWaalsContact O-CG2 3.29Å; Y580-V583 WeakPolarHBondContact O-CG2 3.3Å; Y580-V583 PolarHBondContact O-N 3.48Å; Y580-V584 HydrophobicContact CD1-CG2 4.04Å; Y580-V584 HydrophobicContact CD2-CG2 4.12Å; Y580-V584 HydrophobicContact CE1-CG2 3.76Å; Y580-V584 HydrophobicContact CE2-CG2 3.82Å; Y580-V584 HydrophobicContact CG-CG2 4.22Å; Y580-V584 WeakPolarHBondContact O-CB 3.39Å; Y580-V584 WeakPolarHBondContact O-CG2 3.33Å; Y580-V584 PolarHBondContact O-N 2.91Å
581	A	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-56.6	-45.9	174.8	0	0	0	0	0	112.2	V396 M400 F425 I577 D578 V584 V585 W610	V396-A581 HydrophobicContact CG1-CB 3.66Å; M400-A581 VanDerWaalsContact CE-CA 3.42Å; M400-A581 HydrophobicContact CE-CB 3.5Å; M400-A581 VanDerWaalsContact CE-CB 3.5Å; F425-A581 HydrophobicContact CE2-CB 4.48Å; I577-A581 WeakPolarHBondContact O-CB 3.49Å; I577-A581 PolarHBondContact O-N 3.27Å; D578-A581 WeakPolarHBondContact O-CB 3.33Å; D578-A581 PolarHBondContact O-N 3.29Å; A581-V584 PolarHBondContact O-N 3.14Å; A581-V585 WeakPolarHBondContact O-CG2 3.28Å; A581-V585 PolarHBondContact O-N 2.83Å; A581-V585 VanDerWaalsContact O-N 3.13Å; A581-W610 HydrophobicContact CB-CZ2 3.66Å
582	M	98.9	Very high	98.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.1	-51.1	178.2	-69.2	167.3	86.5	0	0	112.1	T540 D578 L579 Y580 V584 V585 L586 C611 A614 H615	T540-M582 HydrophobicContact CG2-CB 3.98Å; T540-M582 HydrophobicContact CG2-CE 4.4Å; T540-M582 WeakPolarHBondContact OG1-CE 3.43Å; D578-M582 WeakPolarHBondContact O-CG 3.41Å; D578-M582 PolarHBondContact O-N 3.03Å; L579-M582 HydrophobicContact CD2-SD 4.27Å; L579-M582 PolarHBondContact O-N 3.15Å; Y580-M582 VanDerWaalsContact C-N 3.33Å; Y580-M582 PolarHBondContact O-N 3.35Å; M582-V584 VanDerWaalsContact C-N 3.32Å; M582-V584 PolarHBondContact O-N 3.19Å; M582-V585 WeakPolarHBondContact O-CG2 3.45Å; M582-V585 PolarHBondContact O-N 2.86Å; M582-L586 WeakPolarHBondContact O-CB 3.28Å; M582-L586 WeakPolarHBondContact O-CG 3.29Å; M582-L586 PolarHBondContact O-N 3.09Å; M582-C611 HydrophobicContact CE-CB 4.29Å; M582-C611 WeakPolarHBondContact CE-O 3.37Å; M582-A614 HydrophobicContact CG-CB 3.65Å; M582-A614 HydrophobicContact SD-CB 3.88Å; M582-H615 HydrophobicContact CE-CB 3.9Å
583	V	98.8	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-70.5	-29.9	-178.3	-65.6	0	0	0	0	113.4	F77 V91 F92 T540 L579 Y580 S587	F77-V583 HydrophobicContact CD1-CG2 3.84Å; F77-V583 HydrophobicContact CD2-CG2 4.28Å; F77-V583 HydrophobicContact CE1-CB 4.39Å; F77-V583 HydrophobicContact CE1-CG1 4.05Å; F77-V583 HydrophobicContact CE1-CG2 3.53Å; F77-V583 HydrophobicContact CE2-CB 4.22Å; F77-V583 HydrophobicContact CE2-CG1 3.73Å; F77-V583 HydrophobicContact CE2-CG2 4.01Å; F77-V583 HydrophobicContact CG-CG2 4.22Å; F77-V583 HydrophobicContact CZ-CB 4.02Å; F77-V583 HydrophobicContact CZ-CG1 3.34Å; F77-V583 HydrophobicContact CZ-CG2 3.64Å; V91-V583 HydrophobicContact CG1-CB 4Å; V91-V583 HydrophobicContact CG1-CG2 4.01Å; F92-V583 HydrophobicContact CE2-CB 4.19Å; F92-V583 HydrophobicContact CZ-CB 4.16Å; F92-V583 WeakPolarHBondContact CZ-O 3.37Å; T540-V583 HydrophobicContact CG2-CG1 3.55Å; L579-V583 PolarHBondContact O-N 3.23Å; Y580-V583 HydrophobicContact CD2-CG2 4.17Å; Y580-V583 VanDerWaalsContact O-CG2 3.29Å; Y580-V583 WeakPolarHBondContact O-CG2 3.3Å; Y580-V583 PolarHBondContact O-N 3.48Å; V583-S587 VanDerWaalsContact O-CB 3.31Å; V583-S587 WeakPolarHBondContact O-CB 3.27Å; V583-S587 PolarHBondContact O-N 3.46Å
584	V	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.5	-49.1	176.2	165	0	0	0	0	110.7	S399 M400 M403 Y580 A581 M582 S587 R588	S399-V584 VanDerWaalsContact C-CG1 3.42Å; M400-V584 HydrophobicContact CG-CB 4.48Å; M400-V584 HydrophobicContact CG-CG1 4.04Å; M400-V584 HydrophobicContact CG-CG2 4.18Å; M403-V584 HydrophobicContact CE-CB 4.16Å; M403-V584 HydrophobicContact CE-CG1 4.21Å; M403-V584 HydrophobicContact CE-CG2 3.96Å; M403-V584 HydrophobicContact SD-CB 4.4Å; M403-V584 HydrophobicContact SD-CG2 3.55Å; M403-V584 VanDerWaalsContact SD-CG2 3.55Å; Y580-V584 HydrophobicContact CD1-CG2 4.04Å; Y580-V584 HydrophobicContact CD2-CG2 4.12Å; Y580-V584 HydrophobicContact CE1-CG2 3.76Å; Y580-V584 HydrophobicContact CE2-CG2 3.82Å; Y580-V584 HydrophobicContact CG-CG2 4.22Å; Y580-V584 WeakPolarHBondContact O-CB 3.39Å; Y580-V584 WeakPolarHBondContact O-CG2 3.33Å; Y580-V584 PolarHBondContact O-N 2.91Å; A581-V584 PolarHBondContact O-N 3.14Å; M582-V584 VanDerWaalsContact C-N 3.32Å; M582-V584 PolarHBondContact O-N 3.19Å; V584-S587 PolarHBondContact O-N 3.03Å; V584-R588 PolarHBondContact O-N 3.21Å; V584-R588 VanDerWaalsContact O-N 3.1Å
585	V	98.9	Very high	98.8	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-72.4	-35.7	179.5	-64.3	0	0	0	0	112.7	Y395 V396 A581 M582 S587 R588 A589 C607 W610	Y395-V585 HydrophobicContact CD1-CB 4.33Å; Y395-V585 HydrophobicContact CD1-CG1 3.73Å; Y395-V585 HydrophobicContact CE1-CB 3.88Å; Y395-V585 HydrophobicContact CE1-CG1 3.74Å; V396-V585 HydrophobicContact CB-CG1 4.21Å; V396-V585 HydrophobicContact CG2-CG1 3.54Å; A581-V585 WeakPolarHBondContact O-CG2 3.28Å; A581-V585 PolarHBondContact O-N 2.83Å; A581-V585 VanDerWaalsContact O-N 3.13Å; M582-V585 WeakPolarHBondContact O-CG2 3.45Å; M582-V585 PolarHBondContact O-N 2.86Å; V585-S587 VanDerWaalsContact C-N 3.26Å; V585-S587 PolarHBondContact O-N 2.84Å; V585-R588 PolarHBondContact O-N 3.47Å; V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.33Å; V585-A589 PolarHBondContact O-N 3.22Å; V585-C607 HydrophobicContact CB-CB 4.49Å; V585-C607 HydrophobicContact CG2-CB 4.39Å; V585-W610 HydrophobicContact CG2-CG 4.37Å
586	L	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-56.9	-43.4	171.5	-83.1	168.9	0	0	0	111.1	F92 L525 I529 L533 T540 M582 S590	F92-L586 HydrophobicContact CE1-CB 4.23Å; F92-L586 HydrophobicContact CZ-CB 4.18Å; L525-L586 HydrophobicContact CD1-CD1 4.16Å; I529-L586 HydrophobicContact CG2-CB 4.43Å; L533-L586 HydrophobicContact CB-CD2 4.01Å; L533-L586 HydrophobicContact CD1-CD2 4.45Å; T540-L586 HydrophobicContact CG2-CD1 4.24Å; T540-L586 VanDerWaalsContact OG1-CD1 3.26Å; T540-L586 WeakPolarHBondContact OG1-CD1 3.29Å; M582-L586 WeakPolarHBondContact O-CB 3.28Å; M582-L586 WeakPolarHBondContact O-CG 3.29Å; M582-L586 PolarHBondContact O-N 3.09Å; L586-S590 WeakPolarHBondContact O-CB 3.44Å; L586-S590 PolarHBondContact O-N 2.75Å; L586-S590 PolarHBondContact O-OG 3.24Å
587	S	98.9	Very high	98.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-49.3	179.8	-175.6	0	0	0	0	112.1	V91 F92 F94 V583 V584 V585 S590 R591	V91-S587 VanDerWaalsContact O-CB 3.27Å; V91-S587 WeakPolarHBondContact O-CB 3.3Å; V91-S587 PolarHBondContact O-OG 3.46Å; F92-S587 VanDerWaalsContact CE1-CB 3.42Å; F94-S587 WeakPolarHBondContact CA-OG 3.24Å; F94-S587 VanDerWaalsContact CB-OG 3.31Å; F94-S587 WeakPolarHBondContact CB-OG 3.49Å; F94-S587 PolarHBondContact N-OG 3.17Å; V583-S587 VanDerWaalsContact O-CB 3.31Å; V583-S587 WeakPolarHBondContact O-CB 3.27Å; V583-S587 PolarHBondContact O-N 3.46Å; V584-S587 PolarHBondContact O-N 3.03Å; V585-S587 VanDerWaalsContact C-N 3.26Å; V585-S587 PolarHBondContact O-N 2.84Å; S587-S590 PolarHBondContact O-N 3.41Å; S587-R591 PolarHBondContact O-N 3.19Å
588	R	98.8	Very high	98.6	Very high	44 Å²	44	30.1 Å²	30.1	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-50.6	-179.9	-174.8	178.6	170	172.5	2.1	111.8	F94 Y395 E398 S399 V584 V585 S590 R591 S592 E603	F94-R588 HydrophobicContact CD2-CB 3.58Å; F94-R588 HydrophobicContact CD2-CG 4.32Å; F94-R588 HydrophobicContact CE2-CB 3.8Å; F94-R588 HydrophobicContact CE2-CG 4.32Å; F94-R588 HydrophobicContact CG-CB 4.18Å; Y395-R588 HydrophobicContact CE2-CG 4.36Å; Y395-R588 VanDerWaalsContact CE2-NE 3.26Å; Y395-R588 WeakPolarHBondContact OH-CD 3.47Å; Y395-R588 WeakPolarHBondContact OH-CG 3.42Å; E398-R588 IonicContact OE2-CZ 3.49Å; E398-R588 IonicContact OE2-NH1 2.82Å; E398-R588 PolarHBondContact OE2-NH1 3.13Å; E398-R588 IonicContact OE2-NH2 3.79Å; E398-R588 PolarHBondContact OE2-NH2 3.34Å; S399-R588 WeakPolarHBondContact OG-CD 3.36Å; S399-R588 PolarHBondContact OG-NH1 2.98Å; V584-R588 PolarHBondContact O-N 3.21Å; V584-R588 VanDerWaalsContact O-N 3.1Å; V585-R588 PolarHBondContact O-N 3.47Å; R588-S590 VanDerWaalsContact C-N 3.33Å; R588-S590 PolarHBondContact O-N 3.13Å; R588-R591 PolarHBondContact O-N 3.5Å; R588-S592 PolarHBondContact O-N 3.01Å; R588-E603 IonicContact NE-OE2 3.51Å
589	A	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-38.1	-179.8	0	0	0	0	0	111.5	Y395 L533 V585 R591 S592 L593 E603 C607	Y395-A589 PolarHBondContact OH-N 3.3Å; L533-A589 HydrophobicContact CD1-CB 3.77Å; V585-A589 VanDerWaalsContact O-CB 3.28Å; V585-A589 WeakPolarHBondContact O-CB 3.33Å; V585-A589 PolarHBondContact O-N 3.22Å; A589-R591 PolarHBondContact O-N 3.32Å; A589-S592 WeakPolarHBondContact O-CB 3.28Å; A589-S592 PolarHBondContact O-N 3.38Å; A589-L593 WeakPolarHBondContact O-CG 3.45Å; A589-L593 PolarHBondContact O-N 3.1Å; A589-E603 HydrophobicContact CB-CB 4.2Å; A589-C607 HydrophobicContact CB-CB 3.88Å
590	S	98.8	Very high	98.5	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45.3	173.8	-67.1	0	0	0	0	111.8	I529 H530 L533 L586 S587 R588 S592 L593 S594	I529-S590 WeakPolarHBondContact CA-OG 3.47Å; I529-S590 WeakPolarHBondContact CB-OG 3.5Å; H530-S590 PolarHBondContact N-OG 3.33Å; L533-S590 WeakPolarHBondContact CD1-OG 3.21Å; L586-S590 WeakPolarHBondContact O-CB 3.44Å; L586-S590 PolarHBondContact O-N 2.75Å; L586-S590 PolarHBondContact O-OG 3.24Å; S587-S590 PolarHBondContact O-N 3.41Å; R588-S590 VanDerWaalsContact C-N 3.33Å; R588-S590 PolarHBondContact O-N 3.13Å; S590-S592 VanDerWaalsContact C-N 3.33Å; S590-S592 PolarHBondContact O-N 3.24Å; S590-L593 PolarHBondContact O-N 3.26Å; S590-S594 WeakPolarHBondContact O-CB 3.47Å; S590-S594 PolarHBondContact O-N 2.85Å; S590-S594 PolarHBondContact O-OG 2.85Å
591	R	98.5	Very high	98.5	Very high	70 Å²	70	37.8 Å²	37.8	26%	0.264	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-44.6	175.6	-175.8	-177.8	70.7	174.7	3.9	111.1	F94 P95 S587 R588 A589 L593 S594 Q595	F94-R591 HydrophobicContact CB-CB 4.16Å; F94-R591 VanDerWaalsContact CD1-CZ 3.45Å; F94-R591 WeakPolarHBondContact O-CD 3.48Å; F94-R591 PolarHBondContact O-NH1 3.15Å; P95-R591 PolarHBondContact O-NH1 3.4Å; S587-R591 PolarHBondContact O-N 3.19Å; R588-R591 PolarHBondContact O-N 3.5Å; A589-R591 PolarHBondContact O-N 3.32Å; R591-L593 PolarHBondContact O-N 3.34Å; R591-S594 PolarHBondContact O-N 3.48Å; R591-Q595 HydrophobicContact CG-CG 4.38Å; R591-Q595 WeakPolarHBondContact O-CB 3.35Å; R591-Q595 WeakPolarHBondContact O-CG 3.49Å; R591-Q595 PolarHBondContact O-N 2.75Å
592	S	98.6	Very high	98.5	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-45.8	178.7	-173.2	0	0	0	0	112.2	R588 A589 S590 Q595 G596 Q597 A600 E603	R588-S592 PolarHBondContact O-N 3.01Å; A589-S592 WeakPolarHBondContact O-CB 3.28Å; A589-S592 PolarHBondContact O-N 3.38Å; S590-S592 VanDerWaalsContact C-N 3.33Å; S590-S592 PolarHBondContact O-N 3.24Å; S592-Q595 PolarHBondContact O-N 3.02Å; S592-G596 PolarHBondContact O-N 3.48Å; S592-G596 VanDerWaalsContact O-N 3.14Å; S592-Q597 PolarHBondContact O-N 3.24Å; S592-Q597 WeakPolarHBondContact OG-CB 3.43Å; S592-A600 VanDerWaalsContact OG-CA 3.27Å; S592-A600 WeakPolarHBondContact OG-CA 3.44Å; S592-A600 WeakPolarHBondContact OG-CB 3.46Å; S592-E603 PolarHBondContact OG-OE1 3.36Å; S592-E603 VanDerWaalsContact OG-OE1 3.06Å
593	L	98.7	Very high	98.5	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-49.4	176.2	-72.6	162.3	0	0	0	111.7	H530 D532 L533 A589 S590 R591 Q595 G596 A600 K604	H530-L593 HydrophobicContact CB-CB 4.15Å; H530-L593 HydrophobicContact CB-CD1 4.04Å; D532-L593 HydrophobicContact CB-CD1 4.32Å; L533-L593 HydrophobicContact CD1-CD1 3.76Å; L533-L593 HydrophobicContact CG-CD1 3.92Å; A589-L593 WeakPolarHBondContact O-CG 3.45Å; A589-L593 PolarHBondContact O-N 3.1Å; S590-L593 PolarHBondContact O-N 3.26Å; R591-L593 PolarHBondContact O-N 3.34Å; L593-Q595 PolarHBondContact O-N 3.3Å; L593-G596 PolarHBondContact O-N 3.29Å; L593-A600 HydrophobicContact CD2-CB 3.95Å; L593-A600 HydrophobicContact CG-CB 4.24Å; L593-K604 HydrophobicContact CD1-CB 4.25Å; L593-K604 HydrophobicContact CD1-CG 4.38Å; L593-K604 HydrophobicContact CD2-CB 4.47Å
594	S	98.3	Very high	98.5	Very high	88 Å²	88	46.2 Å²	46.2	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-61.3	-28.4	179.3	-63.5	0	0	0	0	113.3	S590 R591	S590-S594 WeakPolarHBondContact O-CB 3.47Å; S590-S594 PolarHBondContact O-N 2.85Å; S590-S594 PolarHBondContact O-OG 2.85Å; R591-S594 PolarHBondContact O-N 3.48Å
595	Q	97.8	Very high	98.5	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.8	177.1	-70.1	179.3	-10	0	0	113.5	R591 S592 L593 Q597	R591-Q595 HydrophobicContact CG-CG 4.38Å; R591-Q595 WeakPolarHBondContact O-CB 3.35Å; R591-Q595 WeakPolarHBondContact O-CG 3.49Å; R591-Q595 PolarHBondContact O-N 2.75Å; S592-Q595 PolarHBondContact O-N 3.02Å; L593-Q595 PolarHBondContact O-N 3.3Å; Q595-Q597 VanDerWaalsContact C-N 3.29Å; Q595-Q597 HydrophobicContact CB-CG 4.1Å; Q595-Q597 PolarHBondContact O-N 3.4Å; Q595-Q597 VanDerWaalsContact OE1-NE2 3.08Å
596	G	97.6	Very high	98.5	Very high	59 Å²	59	52.8 Å²	52.8	61%	0.608	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	33.4	-177.2	0	0	0	0	0	113.8	S592 L593	S592-G596 PolarHBondContact O-N 3.48Å; S592-G596 VanDerWaalsContact O-N 3.14Å; L593-G596 PolarHBondContact O-N 3.29Å
597	Q	97.5	Very high	98.5	Very high	83 Å²	83	52.8 Å²	52.8	39%	0.388	29%	0.289	S	S	.	.			trans	-61.8	146.6	179.9	-63.8	-68.8	-10.4	0	0	111.1	S592 Q595 S599 A600	S592-Q597 PolarHBondContact O-N 3.24Å; S592-Q597 WeakPolarHBondContact OG-CB 3.43Å; Q595-Q597 VanDerWaalsContact C-N 3.29Å; Q595-Q597 HydrophobicContact CB-CG 4.1Å; Q595-Q597 PolarHBondContact O-N 3.4Å; Q595-Q597 VanDerWaalsContact OE1-NE2 3.08Å; Q597-S599 PolarHBondContact O-N 2.9Å; Q597-S599 VanDerWaalsContact O-N 3.11Å; Q597-A600 HydrophobicContact CB-CB 4.47Å; Q597-A600 WeakPolarHBondContact O-CB 3.31Å; Q597-A600 PolarHBondContact O-N 3.27Å
598	P	98.3	Very high	98.5	Very high	135 Å²	135	54.5 Å²	54.5	88%	0.877	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.8	-179.4	-27	35.1	0	0	0	114.2
599	S	98	Very high	98.5	Very high	56 Å²	56	54.7 Å²	54.7	39%	0.392	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-3.3	179.1	48.7	0	0	0	0	114.4	Q597 Q601 H602 E603	Q597-S599 PolarHBondContact O-N 2.9Å; Q597-S599 VanDerWaalsContact O-N 3.11Å; S599-Q601 VanDerWaalsContact C-N 3.31Å; S599-Q601 PolarHBondContact O-N 2.9Å; S599-Q601 VanDerWaalsContact O-N 3.16Å; S599-H602 WeakPolarHBondContact O-CA 3.48Å; S599-H602 WeakPolarHBondContact O-CB 3.47Å; S599-H602 PolarHBondContact O-N 2.91Å; S599-E603 WeakPolarHBondContact CB-OE1 3.47Å; S599-E603 PolarHBondContact O-N 2.87Å; S599-E603 PolarHBondContact OG-OE1 3.48Å
600	A	98.5	Very high	98.5	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	31%	0.307	C	S	.	.	H	α-helix	trans	-58.6	-37.9	-165.6	0	0	0	0	0	114.4	S592 L593 Q597 E603 K604	S592-A600 VanDerWaalsContact OG-CA 3.27Å; S592-A600 WeakPolarHBondContact OG-CA 3.44Å; S592-A600 WeakPolarHBondContact OG-CB 3.46Å; L593-A600 HydrophobicContact CD2-CB 3.95Å; L593-A600 HydrophobicContact CG-CB 4.24Å; Q597-A600 HydrophobicContact CB-CB 4.47Å; Q597-A600 WeakPolarHBondContact O-CB 3.31Å; Q597-A600 PolarHBondContact O-N 3.27Å; A600-E603 PolarHBondContact O-N 3.41Å; A600-K604 WeakPolarHBondContact O-CB 3.42Å; A600-K604 PolarHBondContact O-N 3.37Å
601	Q	98.7	Very high	98.5	Very high	117 Å²	117	55 Å²	55	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-32.4	177.3	-66.2	-58.1	-34.8	0	0	112.6	S599 M605	S599-Q601 VanDerWaalsContact C-N 3.31Å; S599-Q601 PolarHBondContact O-N 2.9Å; S599-Q601 VanDerWaalsContact O-N 3.16Å; Q601-M605 PolarHBondContact O-N 3.04Å; Q601-M605 VanDerWaalsContact O-N 3.12Å
602	H	98.8	Very high	98.5	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-71.9	-42.9	173.4	-174.4	59.5	0	0	0	111.1	S599 K604 M605 L606	S599-H602 WeakPolarHBondContact O-CA 3.48Å; S599-H602 WeakPolarHBondContact O-CB 3.47Å; S599-H602 PolarHBondContact O-N 2.91Å; H602-K604 VanDerWaalsContact C-N 3.29Å; H602-K604 PolarHBondContact O-N 3.41Å; H602-M605 WeakPolarHBondContact O-CB 3.48Å; H602-M605 PolarHBondContact O-N 3.27Å; H602-M605 VanDerWaalsContact O-N 3.08Å; H602-L606 WeakPolarHBondContact O-CG 3.46Å; H602-L606 PolarHBondContact O-N 2.93Å
603	E	98.9	Very high	98.5	Very high	19 Å²	19	58.4 Å²	58.4	9%	0.089	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-37.9	174.8	-72.4	-179.2	-114.2	0	0	112.1	Y395 R588 A589 S592 S599 A600 L606 C607	Y395-E603 HydrophobicContact CE2-CB 4.4Å; Y395-E603 HydrophobicContact CE2-CG 3.73Å; Y395-E603 PolarHBondContact OH-OE2 2.95Å; R588-E603 IonicContact NE-OE2 3.51Å; A589-E603 HydrophobicContact CB-CB 4.2Å; S592-E603 PolarHBondContact OG-OE1 3.36Å; S592-E603 VanDerWaalsContact OG-OE1 3.06Å; S599-E603 WeakPolarHBondContact CB-OE1 3.47Å; S599-E603 PolarHBondContact O-N 2.87Å; S599-E603 PolarHBondContact OG-OE1 3.48Å; A600-E603 PolarHBondContact O-N 3.41Å; E603-L606 PolarHBondContact O-N 3.2Å; E603-C607 VanDerWaalsContact O-CB 3.26Å; E603-C607 WeakPolarHBondContact O-CB 3.15Å; E603-C607 PolarHBondContact O-N 3.5Å
604	K	98.8	Very high	98.5	Very high	50 Å²	50	57.6 Å²	57.6	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-58.3	-50.2	170	-177.2	-168.3	169	-171.8	0	111.2	D532 L533 L593 A600 H602 L606 C607 D608	D532-K604 HydrophobicContact CB-CD 4.17Å; D532-K604 VanDerWaalsContact O-CE 3.29Å; D532-K604 WeakPolarHBondContact O-CE 3.37Å; L533-K604 HydrophobicContact CD2-CB 4.47Å; L533-K604 HydrophobicContact CD2-CG 3.74Å; L533-K604 HydrophobicContact CG-CG 4.42Å; L593-K604 HydrophobicContact CD1-CB 4.25Å; L593-K604 HydrophobicContact CD1-CG 4.38Å; L593-K604 HydrophobicContact CD2-CB 4.47Å; A600-K604 WeakPolarHBondContact O-CB 3.42Å; A600-K604 PolarHBondContact O-N 3.37Å; H602-K604 VanDerWaalsContact C-N 3.29Å; H602-K604 PolarHBondContact O-N 3.41Å; K604-L606 PolarHBondContact O-N 3.28Å; K604-C607 WeakPolarHBondContact O-CB 3.48Å; K604-C607 PolarHBondContact O-N 3Å; K604-C607 VanDerWaalsContact O-N 3.17Å; K604-D608 WeakPolarHBondContact CE-OD2 3.36Å; K604-D608 PolarHBondContact O-N 3.48Å
605	M	98.9	Very high	98.6	Very high	120 Å²	120	54.2 Å²	54.2	59%	0.591	29%	0.294	S	S	*	.	H	α-helix	trans	-61.2	-42	179.8	-172	-177.6	-64.1	0	0	112.5	Q601 H602 T609	Q601-M605 PolarHBondContact O-N 3.04Å; Q601-M605 VanDerWaalsContact O-N 3.12Å; H602-M605 WeakPolarHBondContact O-CB 3.48Å; H602-M605 PolarHBondContact O-N 3.27Å; H602-M605 VanDerWaalsContact O-N 3.08Å; M605-T609 WeakPolarHBondContact O-CB 3.33Å; M605-T609 PolarHBondContact O-N 3Å; M605-T609 PolarHBondContact O-OG1 3.04Å
606	L	98.9	Very high	98.6	Very high	19 Å²	19	54 Å²	54	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-45.6	173.6	-68.4	173.1	0	0	0	111.2	A391 M392 Y395 H602 E603 K604 W610	A391-L606 HydrophobicContact CB-CD2 4.2Å; M392-L606 HydrophobicContact CG-CD2 3.79Å; Y395-L606 HydrophobicContact CD1-CB 4.17Å; Y395-L606 HydrophobicContact CD1-CD1 4.26Å; Y395-L606 HydrophobicContact CD2-CD1 4.09Å; Y395-L606 HydrophobicContact CE1-CB 4.44Å; Y395-L606 HydrophobicContact CG-CD1 3.91Å; H602-L606 WeakPolarHBondContact O-CG 3.46Å; H602-L606 PolarHBondContact O-N 2.93Å; E603-L606 PolarHBondContact O-N 3.2Å; K604-L606 PolarHBondContact O-N 3.28Å; L606-W610 VanDerWaalsContact O-CB 3.27Å; L606-W610 WeakPolarHBondContact O-CB 3.2Å; L606-W610 PolarHBondContact O-N 3.09Å
607	C	98.9	Very high	98.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-51	178.7	-178.4	0	0	0	0	112	L533 V585 A589 E603 K604 T609 W610 C611	L533-C607 HydrophobicContact CD2-CB 4.12Å; V585-C607 HydrophobicContact CB-CB 4.49Å; V585-C607 HydrophobicContact CG2-CB 4.39Å; A589-C607 HydrophobicContact CB-CB 3.88Å; E603-C607 VanDerWaalsContact O-CB 3.26Å; E603-C607 WeakPolarHBondContact O-CB 3.15Å; E603-C607 PolarHBondContact O-N 3.5Å; K604-C607 WeakPolarHBondContact O-CB 3.48Å; K604-C607 PolarHBondContact O-N 3Å; K604-C607 VanDerWaalsContact O-N 3.17Å; C607-T609 PolarHBondContact O-N 3.37Å; C607-W610 PolarHBondContact O-N 3.35Å; C607-C611 WeakPolarHBondContact O-CB 3.4Å; C607-C611 PolarHBondContact O-N 3.46Å; C607-C611 PolarHBondContact O-SG 3.04Å
608	D	98.9	Very high	98.7	Very high	37 Å²	37	51.3 Å²	51.3	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-45.9	-178.8	-72.9	-28.9	0	0	0	111.2	L533 S536 K604 W610 C611 M612	L533-D608 WeakPolarHBondContact CD2-OD1 3.06Å; S536-D608 WeakPolarHBondContact CB-OD1 3.07Å; S536-D608 WeakPolarHBondContact OG-CA 3.44Å; S536-D608 PolarHBondContact OG-OD1 3.42Å; K604-D608 WeakPolarHBondContact CE-OD2 3.36Å; K604-D608 PolarHBondContact O-N 3.48Å; D608-W610 PolarHBondContact O-N 2.99Å; D608-C611 PolarHBondContact O-N 3.28Å; D608-M612 WeakPolarHBondContact O-CE 3.09Å; D608-M612 WeakPolarHBondContact O-CG 3.42Å; D608-M612 PolarHBondContact O-N 3.45Å
609	T	98.9	Very high	98.7	Very high	49 Å²	49	47.4 Å²	47.4	30%	0.301	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-45.3	178.7	-51.1	0	0	0	0	111.3	M392 M605 C607 E613	M392-T609 HydrophobicContact CE-CG2 3.88Å; M392-T609 HydrophobicContact SD-CG2 3.5Å; M392-T609 VanDerWaalsContact SD-CG2 3.5Å; M605-T609 WeakPolarHBondContact O-CB 3.33Å; M605-T609 PolarHBondContact O-N 3Å; M605-T609 PolarHBondContact O-OG1 3.04Å; C607-T609 PolarHBondContact O-N 3.37Å; T609-E613 PolarHBondContact O-N 2.95Å
610	W	98.9	Very high	98.7	Very high	13 Å²	13	49.7 Å²	49.7	5%	0.049	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-49.4	176.5	178.1	-96.8	0	0	0	112	M392 L393 V396 F425 A581 V585 L606 C607 D608 M612 E613 A614 R617	M392-W610 HydrophobicContact CB-CE3 4.18Å; M392-W610 HydrophobicContact SD-CB 4.23Å; L393-W610 HydrophobicContact CD2-CH2 4.42Å; L393-W610 HydrophobicContact CD2-CZ3 4.13Å; V396-W610 HydrophobicContact CG2-CD2 3.64Å; V396-W610 HydrophobicContact CG2-CE3 3.98Å; V396-W610 HydrophobicContact CG2-CG 4.01Å; V396-W610 HydrophobicContact CG2-CZ2 4.21Å; V396-W610 HydrophobicContact CG2-CZ3 4.39Å; F425-W610 AromaticContact CE2-CH2 3.43Å; F425-W610 HydrophobicContact CE2-CH2 3.43Å; F425-W610 VanDerWaalsContact CE2-CH2 3.43Å; F425-W610 AromaticContact CE2-CZ2 3.63Å; F425-W610 HydrophobicContact CE2-CZ2 3.63Å; F425-W610 AromaticContact CZ-CH2 3.49Å; F425-W610 HydrophobicContact CZ-CH2 3.49Å; F425-W610 VanDerWaalsContact CZ-CH2 3.49Å; F425-W610 AromaticContact CZ-CZ2 3.87Å; F425-W610 HydrophobicContact CZ-CZ2 3.87Å; F425-W610 HydrophobicContact CZ-CZ3 4.19Å; A581-W610 HydrophobicContact CB-CZ2 3.66Å; V585-W610 HydrophobicContact CG2-CG 4.37Å; L606-W610 VanDerWaalsContact O-CB 3.27Å; L606-W610 WeakPolarHBondContact O-CB 3.2Å; L606-W610 PolarHBondContact O-N 3.09Å; C607-W610 PolarHBondContact O-N 3.35Å; D608-W610 PolarHBondContact O-N 2.99Å; W610-M612 VanDerWaalsContact C-N 3.33Å; W610-M612 PolarHBondContact O-N 3.49Å; W610-E613 PolarHBondContact O-N 2.99Å; W610-A614 WeakPolarHBondContact O-CB 3.45Å; W610-A614 PolarHBondContact O-N 2.89Å; W610-R617 VanDerWaalsContact CH2-NH2 3.34Å
611	C	98.9	Very high	98.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-37	-177.1	-79.3	0	0	0	0	112.6	M582 C607 D608 H615	M582-C611 HydrophobicContact CE-CB 4.29Å; M582-C611 WeakPolarHBondContact CE-O 3.37Å; C607-C611 WeakPolarHBondContact O-CB 3.4Å; C607-C611 PolarHBondContact O-N 3.46Å; C607-C611 PolarHBondContact O-SG 3.04Å; D608-C611 PolarHBondContact O-N 3.28Å; C611-H615 WeakPolarHBondContact O-CB 3.41Å; C611-H615 PolarHBondContact O-N 2.9Å
612	M	98.7	Very high	98.4	Very high	87 Å²	87	45.5 Å²	45.5	43%	0.429	22%	0.22	S	C	.	.	H	α-helix	trans	-60.8	-53.6	175	-73.6	-175.2	-70.8	0	0	111.4	L539 D608 W610 D616	L539-M612 HydrophobicContact CD1-CG 4.14Å; D608-M612 WeakPolarHBondContact O-CE 3.09Å; D608-M612 WeakPolarHBondContact O-CG 3.42Å; D608-M612 PolarHBondContact O-N 3.45Å; W610-M612 VanDerWaalsContact C-N 3.33Å; W610-M612 PolarHBondContact O-N 3.49Å; M612-D616 PolarHBondContact O-N 2.69Å
613	E	98.7	Very high	98.2	Very high	57 Å²	57	47 Å²	47	27%	0.266	23%	0.225	S	C	.	.	H	α-helix	trans	-70.8	-37.6	-177.9	-64.4	-166	163.2	0	0	113	R389 T609 W610 D616 R617	R389-E613 IonicContact CZ-OE1 2.59Å; R389-E613 IonicContact CZ-OE2 3.69Å; R389-E613 VanDerWaalsContact NH1-CD 3.31Å; R389-E613 IonicContact NH1-OE1 3.73Å; R389-E613 PolarHBondContact NH1-OE1 3.32Å; R389-E613 VanDerWaalsContact NH1-OE1 3.09Å; R389-E613 IonicContact NH1-OE2 2.74Å; R389-E613 PolarHBondContact NH1-OE2 3.34Å; R389-E613 IonicContact NH2-OE1 3.72Å; R389-E613 PolarHBondContact NH2-OE1 3.12Å; R389-E613 IonicContact NH2-OE2 3.25Å; T609-E613 PolarHBondContact O-N 2.95Å; W610-E613 PolarHBondContact O-N 2.99Å; E613-D616 PolarHBondContact O-N 2.92Å; E613-R617 WeakPolarHBondContact O-CG 3.38Å; E613-R617 PolarHBondContact O-N 2.92Å; E613-R617 IonicContact OE2-NH1 3.81Å
614	A	98.8	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-40.9	177.7	0	0	0	0	0	111.6	D578 M582 W610 D616 R617 V618	D578-A614 HydrophobicContact CB-CB 4.26Å; M582-A614 HydrophobicContact CG-CB 3.65Å; M582-A614 HydrophobicContact SD-CB 3.88Å; W610-A614 WeakPolarHBondContact O-CB 3.45Å; W610-A614 PolarHBondContact O-N 2.89Å; A614-D616 VanDerWaalsContact C-N 3.31Å; A614-D616 PolarHBondContact O-N 3.25Å; A614-R617 PolarHBondContact O-N 3.37Å; A614-V618 VanDerWaalsContact O-CG2 3.3Å; A614-V618 WeakPolarHBondContact O-CG2 3.39Å; A614-V618 PolarHBondContact O-N 2.9Å
615	H	98.8	Very high	97.7	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-47.3	172	166	-85.3	0	0	0	111.2	L539 M582 C611 R617 V618 M619	L539-H615 HydrophobicContact CB-CB 4.28Å; L539-H615 PolarHBondContact O-CD2 3.03Å; M582-H615 HydrophobicContact CE-CB 3.9Å; C611-H615 WeakPolarHBondContact O-CB 3.41Å; C611-H615 PolarHBondContact O-N 2.9Å; H615-R617 PolarHBondContact O-N 2.77Å; H615-V618 PolarHBondContact O-N 2.79Å; H615-M619 WeakPolarHBondContact O-CB 3.28Å; H615-M619 VanDerWaalsContact O-CG 3.3Å; H615-M619 WeakPolarHBondContact O-CG 3.4Å; H615-M619 PolarHBondContact O-N 2.89Å
616	D	98.7	Very high	97.2	Very high	104 Å²	104	45.9 Å²	45.9	56%	0.556	22%	0.217	S	C	*	.	H	α-helix	trans	-65.8	-38.8	-177.4	-72.4	-6.1	0	0	0	112.3	M612 E613 A614 M619 Q620	M612-D616 PolarHBondContact O-N 2.69Å; E613-D616 PolarHBondContact O-N 2.92Å; A614-D616 VanDerWaalsContact C-N 3.31Å; A614-D616 PolarHBondContact O-N 3.25Å; D616-M619 PolarHBondContact O-N 2.87Å; D616-Q620 WeakPolarHBondContact O-CB 3.38Å; D616-Q620 PolarHBondContact O-N 3.2Å
617	R	98.6	Very high	96.6	Very high	85 Å²	85	46.7 Å²	46.7	32%	0.321	22%	0.224	S	C	.	.	H	α-helix	trans	-60.9	-48.4	172.1	-71	-169.9	-59.8	-92.9	7.2	112	D578 W610 E613 A614 H615 M619 Q620 D621	D578-R617 IonicContact OD1-CZ 2.62Å; D578-R617 IonicContact OD1-NE 3.63Å; D578-R617 PolarHBondContact OD1-NE 3.29Å; D578-R617 IonicContact OD1-NH2 2.71Å; D578-R617 PolarHBondContact OD1-NH2 3.23Å; D578-R617 WeakPolarHBondContact OD2-CB 3.27Å; D578-R617 IonicContact OD2-CZ 2.79Å; D578-R617 IonicContact OD2-NE 3.7Å; D578-R617 PolarHBondContact OD2-NE 3.47Å; D578-R617 IonicContact OD2-NH2 3.03Å; W610-R617 VanDerWaalsContact CH2-NH2 3.34Å; E613-R617 WeakPolarHBondContact O-CG 3.38Å; E613-R617 PolarHBondContact O-N 2.92Å; E613-R617 IonicContact OE2-NH1 3.81Å; A614-R617 PolarHBondContact O-N 3.37Å; H615-R617 PolarHBondContact O-N 2.77Å; R617-M619 VanDerWaalsContact C-N 3.34Å; R617-M619 PolarHBondContact O-N 2.59Å; R617-Q620 PolarHBondContact O-N 2.9Å; R617-D621 PolarHBondContact O-N 3.35Å
618	V	98.7	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-45.7	177.9	171.7	0	0	0	0	111	A543 C575 D578 L579 A614 H615 Q620 D621 I622	A543-V618 HydrophobicContact CB-CG1 4.04Å; C575-V618 HydrophobicContact CB-CG1 4.42Å; D578-V618 HydrophobicContact CB-CG2 3.62Å; L579-V618 HydrophobicContact CD2-CG1 4.37Å; L579-V618 HydrophobicContact CD2-CG2 4.33Å; L579-V618 HydrophobicContact CG-CG2 4.23Å; A614-V618 VanDerWaalsContact O-CG2 3.3Å; A614-V618 WeakPolarHBondContact O-CG2 3.39Å; A614-V618 PolarHBondContact O-N 2.9Å; H615-V618 PolarHBondContact O-N 2.79Å; V618-Q620 VanDerWaalsContact C-N 3.34Å; V618-Q620 PolarHBondContact O-N 3.16Å; V618-D621 PolarHBondContact O-N 3.41Å; V618-I622 HydrophobicContact CG1-CD1 3.74Å; V618-I622 HydrophobicContact CG1-CG1 4.42Å; V618-I622 WeakPolarHBondContact O-CB 3.37Å; V618-I622 VanDerWaalsContact O-CG1 3.3Å; V618-I622 WeakPolarHBondContact O-CG1 3.47Å; V618-I622 PolarHBondContact O-N 2.89Å
619	M	97.9	Very high	95.1	Very high	53 Å²	53	56.3 Å²	56.3	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-66.1	-36.6	179.9	-69.4	-57.1	-65.3	0	0	112.3	Q546 H615 D616 R617 I622 K623	Q546-M619 HydrophobicContact CB-SD 4.22Å; Q546-M619 HydrophobicContact CG-CE 4.19Å; Q546-M619 HydrophobicContact CG-SD 4.15Å; H615-M619 WeakPolarHBondContact O-CB 3.28Å; H615-M619 VanDerWaalsContact O-CG 3.3Å; H615-M619 WeakPolarHBondContact O-CG 3.4Å; H615-M619 PolarHBondContact O-N 2.89Å; D616-M619 PolarHBondContact O-N 2.87Å; R617-M619 VanDerWaalsContact C-N 3.34Å; R617-M619 PolarHBondContact O-N 2.59Å; M619-I622 HydrophobicContact SD-CD1 4.42Å; M619-K623 WeakPolarHBondContact O-CB 3.38Å; M619-K623 PolarHBondContact O-N 2.82Å
620	Q	97.1	Very high	94.5	Very high	104 Å²	104	54.3 Å²	54.3	49%	0.486	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-44.5	174.7	-178.8	67.4	-5.6	0	0	111.8	D616 R617 V618 K623 L624	D616-Q620 WeakPolarHBondContact O-CB 3.38Å; D616-Q620 PolarHBondContact O-N 3.2Å; R617-Q620 PolarHBondContact O-N 2.9Å; V618-Q620 VanDerWaalsContact C-N 3.34Å; V618-Q620 PolarHBondContact O-N 3.16Å; Q620-K623 WeakPolarHBondContact O-CB 3.32Å; Q620-K623 PolarHBondContact O-N 3.48Å; Q620-L624 WeakPolarHBondContact O-CG 3.33Å; Q620-L624 PolarHBondContact O-N 3.25Å
621	D	96.9	Very high	94	Very high	30 Å²	30	59.3 Å²	59.3	16%	0.16	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-39	176.4	-89.9	-28.3	0	0	0	112.2	C575 R617 V618 K623 L624 L625	C575-D621 WeakPolarHBondContact SG-CB 3.48Å; R617-D621 PolarHBondContact O-N 3.35Å; V618-D621 PolarHBondContact O-N 3.41Å; D621-K623 VanDerWaalsContact C-N 3.31Å; D621-K623 PolarHBondContact O-N 2.78Å; D621-L624 CarbonylContact O-C 3.55Å; D621-L624 WeakPolarHBondContact O-CB 3.45Å; D621-L624 PolarHBondContact O-N 2.86Å; D621-L624 VanDerWaalsContact O-N 3.11Å; D621-L625 VanDerWaalsContact O-CG 3.25Å; D621-L625 WeakPolarHBondContact O-CG 3.34Å; D621-L625 PolarHBondContact O-N 2.84Å
622	I	95.4	Very high	93.6	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-57.5	-43.9	171.8	-78.7	172.2	0	0	0	111.4	Q546 F547 V550 V618 M619 L624 L625 R626	Q546-I622 HydrophobicContact CB-CD1 3.66Å; F547-I622 HydrophobicContact CB-CD1 4.26Å; V550-I622 HydrophobicContact CG2-CB 4.38Å; V550-I622 HydrophobicContact CG2-CG1 4.19Å; V550-I622 HydrophobicContact CG2-CG2 3.76Å; V618-I622 HydrophobicContact CG1-CD1 3.74Å; V618-I622 HydrophobicContact CG1-CG1 4.42Å; V618-I622 WeakPolarHBondContact O-CB 3.37Å; V618-I622 VanDerWaalsContact O-CG1 3.3Å; V618-I622 WeakPolarHBondContact O-CG1 3.47Å; V618-I622 PolarHBondContact O-N 2.89Å; M619-I622 HydrophobicContact SD-CD1 4.42Å; I622-L624 VanDerWaalsContact C-N 3.33Å; I622-L624 PolarHBondContact O-N 3.41Å; I622-L625 PolarHBondContact O-N 2.81Å; I622-R626 PolarHBondContact O-N 3.05Å
623	K	94.4	Very high	93.4	Very high	139 Å²	139	64.4 Å²	64.4	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-61	-43.6	174.9	-179.5	-177.3	177.5	-178	0	111.1	M619 Q620 D621 L625 R626 S627	M619-K623 WeakPolarHBondContact O-CB 3.38Å; M619-K623 PolarHBondContact O-N 2.82Å; Q620-K623 WeakPolarHBondContact O-CB 3.32Å; Q620-K623 PolarHBondContact O-N 3.48Å; D621-K623 VanDerWaalsContact C-N 3.31Å; D621-K623 PolarHBondContact O-N 2.78Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.45Å; K623-R626 PolarHBondContact O-N 2.84Å; K623-S627 WeakPolarHBondContact O-CB 3.36Å; K623-S627 PolarHBondContact O-N 3.19Å
624	L	92.9	Very high	93.2	Very high	48 Å²	48	62.4 Å²	62.4	25%	0.251	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-37.8	176.7	-68.9	175	0	0	0	112.1	Q620 D621 I622 R626 S627 S630	Q620-L624 WeakPolarHBondContact O-CG 3.33Å; Q620-L624 PolarHBondContact O-N 3.25Å; D621-L624 CarbonylContact O-C 3.55Å; D621-L624 WeakPolarHBondContact O-CB 3.45Å; D621-L624 PolarHBondContact O-N 2.86Å; D621-L624 VanDerWaalsContact O-N 3.11Å; I622-L624 VanDerWaalsContact C-N 3.33Å; I622-L624 PolarHBondContact O-N 3.41Å; L624-R626 VanDerWaalsContact C-N 3.26Å; L624-R626 PolarHBondContact O-N 3.28Å; L624-S627 PolarHBondContact O-N 2.88Å; L624-S630 WeakPolarHBondContact CA-OG 3.41Å; L624-S630 WeakPolarHBondContact O-CB 3.35Å; L624-S630 PolarHBondContact O-OG 2.78Å
625	L	93.5	Very high	93	Very high	17 Å²	17	66.5 Å²	66.5	9%	0.089	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-29	178.8	-71.8	167.7	0	0	0	112.9	V550 L554 V568 R571 V572 D621 I622 K623	V550-L625 HydrophobicContact CG1-CB 3.88Å; V550-L625 HydrophobicContact CG1-CD1 3.8Å; V550-L625 HydrophobicContact CG1-CG 4.45Å; L554-L625 HydrophobicContact CD1-CD2 4.29Å; V568-L625 HydrophobicContact CB-CD2 4.3Å; V568-L625 HydrophobicContact CG1-CD2 3.68Å; R571-L625 HydrophobicContact CB-CD1 4.44Å; R571-L625 HydrophobicContact CB-CD2 3.95Å; R571-L625 HydrophobicContact CB-CG 4.24Å; V572-L625 HydrophobicContact CG2-CD1 4Å; V572-L625 HydrophobicContact CG2-CD2 4.21Å; D621-L625 VanDerWaalsContact O-CG 3.25Å; D621-L625 WeakPolarHBondContact O-CG 3.34Å; D621-L625 PolarHBondContact O-N 2.84Å; I622-L625 PolarHBondContact O-N 2.81Å; K623-L625 VanDerWaalsContact C-N 3.34Å; K623-L625 PolarHBondContact O-N 3.45Å
626	R	87.9	Confident	92.9	Very high	100 Å²	100	69.6 Å²	69.6	38%	0.377	34%	0.342	S	S	.	.	H	α-helix	trans	-92.3	-24.2	178.9	-71.3	177.2	163.9	155	-2.6	114.3	V550 E553 I622 K623 L624	V550-R626 HydrophobicContact CG2-CG 4.27Å; E553-R626 IonicContact OE1-CZ 3.1Å; E553-R626 IonicContact OE1-NE 3.35Å; E553-R626 PolarHBondContact OE1-NE 3.19Å; E553-R626 IonicContact OE1-NH2 3.82Å; E553-R626 PolarHBondContact OE1-NH2 3.29Å; E553-R626 IonicContact OE2-CZ 3.59Å; E553-R626 IonicContact OE2-NE 3.7Å; E553-R626 PolarHBondContact OE2-NE 2.91Å; E553-R626 IonicContact OE2-NH2 2.77Å; E553-R626 PolarHBondContact OE2-NH2 3.44Å; I622-R626 PolarHBondContact O-N 3.05Å; K623-R626 PolarHBondContact O-N 2.84Å; L624-R626 VanDerWaalsContact C-N 3.26Å; L624-R626 PolarHBondContact O-N 3.28Å
627	S	87.3	Confident	92.8	Very high	36 Å²	36	68.1 Å²	68.1	25%	0.252	33%	0.333	S	S	.	.			trans	-70.4	138.4	-170.9	179.1	0	0	0	0	113.9	K623 L624 Q629 S630	K623-S627 WeakPolarHBondContact O-CB 3.36Å; K623-S627 PolarHBondContact O-N 3.19Å; L624-S627 PolarHBondContact O-N 2.88Å; S627-Q629 VanDerWaalsContact C-N 3.3Å; S627-Q629 WeakPolarHBondContact OG-CB 3.21Å; S627-Q629 PolarHBondContact OG-N 3Å; S627-Q629 VanDerWaalsContact OG-N 3.15Å; S627-S630 PolarHBondContact O-N 2.9Å
628	S	81.6	Confident	92.7	Very high	94 Å²	94	69 Å²	69	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-65.4	-33.5	169.6	53.6	0	0	0	0	112.2	S630 K631	S628-S630 VanDerWaalsContact C-N 3.25Å; S628-S630 PolarHBondContact O-N 3.48Å; S628-K631 WeakPolarHBondContact O-CB 2.88Å; S628-K631 PolarHBondContact O-N 2.96Å; S628-K631 VanDerWaalsContact O-N 3.08Å
629	Q	85	Confident	92.7	Very high	145 Å²	145	72.9 Å²	72.9	68%	0.678	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-34.6	177.7	-167.5	177.8	11.3	0	0	111.8	S627 K631 Q632 L633	S627-Q629 VanDerWaalsContact C-N 3.3Å; S627-Q629 WeakPolarHBondContact OG-CB 3.21Å; S627-Q629 PolarHBondContact OG-N 3Å; S627-Q629 VanDerWaalsContact OG-N 3.15Å; Q629-K631 VanDerWaalsContact C-N 3.26Å; Q629-K631 PolarHBondContact O-N 3.36Å; Q629-Q632 WeakPolarHBondContact O-CB 3.48Å; Q629-Q632 PolarHBondContact O-N 2.87Å; Q629-L633 PolarHBondContact O-N 3.28Å
630	S	86.8	Confident	92.7	Very high	6 Å²	6	75.6 Å²	75.6	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-63.4	-31.7	176.1	-56.1	0	0	0	0	112.8	L624 S627 S628 L633 F634	L624-S630 WeakPolarHBondContact CA-OG 3.41Å; L624-S630 WeakPolarHBondContact O-CB 3.35Å; L624-S630 PolarHBondContact O-OG 2.78Å; S627-S630 PolarHBondContact O-N 2.9Å; S628-S630 VanDerWaalsContact C-N 3.25Å; S628-S630 PolarHBondContact O-N 3.48Å; S630-L633 WeakPolarHBondContact O-CB 3.47Å; S630-L633 PolarHBondContact O-N 3.09Å; S630-F634 WeakPolarHBondContact O-CD1 3.39Å; S630-F634 WeakPolarHBondContact O-CD2 3.24Å; S630-F634 WeakPolarHBondContact O-CG 3.44Å; S630-F634 PolarHBondContact O-N 2.93Å
631	K	86.8	Confident	92.8	Very high	119 Å²	119	74 Å²	74	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-43.6	175.3	-63.5	178.9	-179.3	173.7	0	111.1	S628 Q629 L633 F634 N635	S628-K631 WeakPolarHBondContact O-CB 2.88Å; S628-K631 PolarHBondContact O-N 2.96Å; S628-K631 VanDerWaalsContact O-N 3.08Å; Q629-K631 VanDerWaalsContact C-N 3.26Å; Q629-K631 PolarHBondContact O-N 3.36Å; K631-L633 VanDerWaalsContact C-N 3.34Å; K631-F634 PolarHBondContact O-N 3.32Å; K631-N635 PolarHBondContact O-N 2.81Å
632	Q	92.1	Very high	92.8	Very high	122 Å²	122	75.2 Å²	75.2	57%	0.57	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-43.8	175.6	-174.7	177.6	5.9	0	0	110.7	Q629 F634 N635 N636	Q629-Q632 WeakPolarHBondContact O-CB 3.48Å; Q629-Q632 PolarHBondContact O-N 2.87Å; Q632-F634 VanDerWaalsContact C-N 3.34Å; Q632-F634 PolarHBondContact O-N 2.77Å; Q632-N635 PolarHBondContact O-N 2.83Å; Q632-N636 VanDerWaalsContact O-CG 3.29Å; Q632-N636 PolarHBondContact O-N 2.84Å; Q632-N636 PolarHBondContact O-OD1 2.81Å
633	L	94.1	Very high	93	Very high	72 Å²	72	76.8 Å²	76.8	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-56.4	-46.3	175.4	-176.5	65.5	0	0	0	112	Q629 S630 K631 N635 N636 M637	Q629-L633 PolarHBondContact O-N 3.28Å; S630-L633 WeakPolarHBondContact O-CB 3.47Å; S630-L633 PolarHBondContact O-N 3.09Å; K631-L633 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.14Å; L633-N636 PolarHBondContact O-N 2.94Å; L633-M637 HydrophobicContact CD1-CE 3.86Å; L633-M637 HydrophobicContact CD2-CE 3.93Å; L633-M637 HydrophobicContact CG-CE 3.71Å; L633-M637 HydrophobicContact CG-SD 4.38Å; L633-M637 WeakPolarHBondContact O-CG 3.3Å; L633-M637 PolarHBondContact O-N 2.89Å
634	F	93.4	Very high	93.2	Very high	14 Å²	14	72.9 Å²	72.9	6%	0.061	39%	0.394	C	S	.	.	H	α-helix	trans	-67.4	-36	179.6	-60.1	-16.3	0	0	0	112.6	F567 V568 S630 K631 Q632 M637 R638	F567-F634 HydrophobicContact CB-CD1 3.76Å; F567-F634 HydrophobicContact CB-CD2 3.82Å; F567-F634 HydrophobicContact CB-CE1 3.79Å; F567-F634 HydrophobicContact CB-CE2 3.82Å; F567-F634 HydrophobicContact CB-CG 3.8Å; F567-F634 HydrophobicContact CB-CZ 3.81Å; F567-F634 HydrophobicContact CD1-CD1 4.35Å; F567-F634 HydrophobicContact CD2-CB 3.8Å; F567-F634 HydrophobicContact CD2-CD1 4.26Å; F567-F634 HydrophobicContact CD2-CD2 4.39Å; F567-F634 AromaticContact CD2-CG 3.9Å; F567-F634 HydrophobicContact CD2-CG 3.9Å; F567-F634 HydrophobicContact CE2-CB 4.23Å; F567-F634 HydrophobicContact CG-CB 4.32Å; F567-F634 AromaticContact CG-CD1 3.89Å; F567-F634 HydrophobicContact CG-CD1 3.89Å; F567-F634 HydrophobicContact CG-CD2 4.39Å; F567-F634 HydrophobicContact CG-CE1 4.35Å; F567-F634 AromaticContact CG-CG 3.94Å; F567-F634 HydrophobicContact CG-CG 3.94Å; V568-F634 HydrophobicContact CG2-CE2 4.08Å; S630-F634 WeakPolarHBondContact O-CD1 3.39Å; S630-F634 WeakPolarHBondContact O-CD2 3.24Å; S630-F634 WeakPolarHBondContact O-CG 3.44Å; S630-F634 PolarHBondContact O-N 2.93Å; K631-F634 PolarHBondContact O-N 3.32Å; Q632-F634 VanDerWaalsContact C-N 3.34Å; Q632-F634 PolarHBondContact O-N 2.77Å; F634-M637 HydrophobicContact CD1-SD 4.45Å; F634-M637 PolarHBondContact O-N 3.08Å; F634-R638 WeakPolarHBondContact O-CG 3.44Å; F634-R638 PolarHBondContact O-N 2.85Å
635	N	94.2	Very high	93.4	Very high	87 Å²	87	75.8 Å²	75.8	47%	0.465	41%	0.413	S	S	.	.	H	α-helix	trans	-64.6	-44.8	173.3	-71.1	-13.2	0	0	0	111.1	K631 Q632 L633 M637 R638 S639	K631-N635 PolarHBondContact O-N 2.81Å; Q632-N635 PolarHBondContact O-N 2.83Å; L633-N635 PolarHBondContact O-N 3.14Å; N635-M637 PolarHBondContact O-N 2.74Å; N635-R638 PolarHBondContact O-N 3.17Å; N635-R638 PolarHBondContact OD1-NH1 3.21Å; N635-R638 VanDerWaalsContact OD1-NH1 3.09Å; N635-S639 PolarHBondContact O-N 3.05Å; N635-S639 PolarHBondContact O-OG 3.47Å
636	N	96.8	Very high	93.6	Very high	81 Å²	81	83.3 Å²	83.3	43%	0.433	45%	0.448	S	S	.	.	H	α-helix	trans	-59.8	-46	175.9	-68.5	1.6	0	0	0	111.2	Q632 L633 R638 S639 I640	Q632-N636 VanDerWaalsContact O-CG 3.29Å; Q632-N636 PolarHBondContact O-N 2.84Å; Q632-N636 PolarHBondContact O-OD1 2.81Å; L633-N636 PolarHBondContact O-N 2.94Å; N636-R638 VanDerWaalsContact C-N 3.31Å; N636-R638 PolarHBondContact O-N 3.3Å; N636-S639 PolarHBondContact O-N 3.06Å; N636-I640 HydrophobicContact CB-CD1 4.48Å; N636-I640 WeakPolarHBondContact O-CB 3.45Å; N636-I640 WeakPolarHBondContact O-CD1 3.48Å; N636-I640 WeakPolarHBondContact O-CG1 3.27Å; N636-I640 PolarHBondContact O-N 3.36Å
637	M	97.6	Very high	94.1	Very high	74 Å²	74	83 Å²	83	37%	0.365	45%	0.454	S	S	.	.	H	α-helix	trans	-58.5	-41.6	177.1	-72.6	175.5	178.4	0	0	112.2	F567 L633 F634 N635 S641	F567-M637 HydrophobicContact CD1-SD 4.29Å; F567-M637 HydrophobicContact CE1-CB 4.24Å; F567-M637 HydrophobicContact CE1-SD 3.96Å; F567-M637 HydrophobicContact CZ-CB 3.99Å; L633-M637 HydrophobicContact CD1-CE 3.86Å; L633-M637 HydrophobicContact CD2-CE 3.93Å; L633-M637 HydrophobicContact CG-CE 3.71Å; L633-M637 HydrophobicContact CG-SD 4.38Å; L633-M637 WeakPolarHBondContact O-CG 3.3Å; L633-M637 PolarHBondContact O-N 2.89Å; F634-M637 HydrophobicContact CD1-SD 4.45Å; F634-M637 PolarHBondContact O-N 3.08Å; N635-M637 PolarHBondContact O-N 2.74Å; M637-S641 VanDerWaalsContact O-CB 3.3Å; M637-S641 WeakPolarHBondContact O-CB 3.34Å; M637-S641 PolarHBondContact O-N 2.89Å
638	R	97	Very high	94.6	Very high	103 Å²	103	84.9 Å²	84.9	39%	0.389	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-47.8	175.2	-70.8	173.6	-174.5	125.8	-3.4	111.6	E565 F567 F634 N635 N636 S641 A642	E565-R638 IonicContact OE2-NH2 3.41Å; F567-R638 HydrophobicContact CE2-CG 3.84Å; F567-R638 HydrophobicContact CZ-CG 4.31Å; F634-R638 WeakPolarHBondContact O-CG 3.44Å; F634-R638 PolarHBondContact O-N 2.85Å; N635-R638 PolarHBondContact O-N 3.17Å; N635-R638 PolarHBondContact OD1-NH1 3.21Å; N635-R638 VanDerWaalsContact OD1-NH1 3.09Å; N636-R638 VanDerWaalsContact C-N 3.31Å; N636-R638 PolarHBondContact O-N 3.3Å; R638-S641 PolarHBondContact O-N 3.45Å; R638-A642 WeakPolarHBondContact O-CB 3.2Å; R638-A642 PolarHBondContact O-N 2.91Å
639	S	98.1	Very high	95.2	Very high	81 Å²	81	81.3 Å²	81.3	57%	0.566	46%	0.457	S	S	*	.	H	α-helix	trans	-65.7	-43.3	-179.3	-64.2	0	0	0	0	112.5	N635 N636 A642 A643	N635-S639 PolarHBondContact O-N 3.05Å; N635-S639 PolarHBondContact O-OG 3.47Å; N636-S639 PolarHBondContact O-N 3.06Å; S639-A642 PolarHBondContact O-N 3.19Å; S639-A643 WeakPolarHBondContact O-CB 3.38Å; S639-A643 PolarHBondContact O-N 2.88Å
640	I	98.4	Very high	95.7	Very high	110 Å²	110	79.8 Å²	79.8	56%	0.564	46%	0.459	S	S	*	.	H	α-helix	trans	-60.1	-48	175.4	-68.6	163.8	0	0	0	109.7	N636 A642 A643 V644	N636-I640 HydrophobicContact CB-CD1 4.48Å; N636-I640 WeakPolarHBondContact O-CB 3.45Å; N636-I640 WeakPolarHBondContact O-CD1 3.48Å; N636-I640 WeakPolarHBondContact O-CG1 3.27Å; N636-I640 PolarHBondContact O-N 3.36Å; I640-A642 VanDerWaalsContact C-N 3.34Å; I640-A642 PolarHBondContact O-N 2.84Å; I640-A643 PolarHBondContact O-N 3.19Å; I640-V644 HydrophobicContact CG2-CG2 4.39Å; I640-V644 WeakPolarHBondContact O-CG2 3.47Å; I640-V644 PolarHBondContact O-N 2.79Å
641	S	98.1	Very high	96.3	Very high	70 Å²	70	82.9 Å²	82.9	49%	0.49	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-43	178.1	-177	0	0	0	0	112.1	M637 R638 V644 V645	M637-S641 VanDerWaalsContact O-CB 3.3Å; M637-S641 WeakPolarHBondContact O-CB 3.34Å; M637-S641 PolarHBondContact O-N 2.89Å; R638-S641 PolarHBondContact O-N 3.45Å; S641-V644 PolarHBondContact O-N 3.48Å; S641-V645 VanDerWaalsContact O-CG2 3.28Å; S641-V645 WeakPolarHBondContact O-CG2 3.33Å; S641-V645 PolarHBondContact O-N 2.79Å
642	A	98.3	Very high	96.7	Very high	57 Å²	57	82.1 Å²	82.1	47%	0.471	49%	0.485	S	S	.	.	H	α-helix	trans	-61	-46.2	178	0	0	0	0	0	111.2	R638 S639 I640 V645 E646	R638-A642 WeakPolarHBondContact O-CB 3.2Å; R638-A642 PolarHBondContact O-N 2.91Å; S639-A642 PolarHBondContact O-N 3.19Å; I640-A642 VanDerWaalsContact C-N 3.34Å; I640-A642 PolarHBondContact O-N 2.84Å; A642-V645 PolarHBondContact O-N 3.24Å; A642-E646 WeakPolarHBondContact O-CB 3.45Å; A642-E646 PolarHBondContact O-N 3.23Å
643	A	98.3	Very high	96.9	Very high	38 Å²	38	80.9 Å²	80.9	31%	0.314	49%	0.488	S	S	.	.	H	α-helix	trans	-64.5	-41.6	179.3	0	0	0	0	0	112.5	S639 I640 V645 E646 N647 V651	S639-A643 WeakPolarHBondContact O-CB 3.38Å; S639-A643 PolarHBondContact O-N 2.88Å; I640-A643 PolarHBondContact O-N 3.19Å; A643-V645 VanDerWaalsContact C-N 3.32Å; A643-V645 PolarHBondContact O-N 3.49Å; A643-E646 PolarHBondContact O-N 2.82Å; A643-N647 WeakPolarHBondContact O-CB 3.38Å; A643-N647 PolarHBondContact O-N 3.21Å; A643-V651 HydrophobicContact CB-CG2 3.88Å; A643-V651 WeakPolarHBondContact O-CG2 3.24Å
644	V	98.3	Very high	97	Very high	56 Å²	56	82.8 Å²	82.8	34%	0.339	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-39.6	176.1	168.9	0	0	0	0	111.5	I640 S641 G648 G649 V651	I640-V644 HydrophobicContact CG2-CG2 4.39Å; I640-V644 WeakPolarHBondContact O-CG2 3.47Å; I640-V644 PolarHBondContact O-N 2.79Å; S641-V644 PolarHBondContact O-N 3.48Å; V644-G648 PolarHBondContact O-N 2.87Å; V644-G648 VanDerWaalsContact O-N 3.09Å; V644-G649 PolarHBondContact O-N 3.39Å; V644-V651 HydrophobicContact CG2-CG2 4.12Å
645	V	97.8	Very high	97.2	Very high	109 Å²	109	88.1 Å²	88.1	66%	0.661	53%	0.53	S	S	*	.	H	α-helix	trans	-71	-45.6	178.4	171.1	0	0	0	0	111.4	S641 A642 A643 N647 G648	S641-V645 VanDerWaalsContact O-CG2 3.28Å; S641-V645 WeakPolarHBondContact O-CG2 3.33Å; S641-V645 PolarHBondContact O-N 2.79Å; A642-V645 PolarHBondContact O-N 3.24Å; A643-V645 VanDerWaalsContact C-N 3.32Å; A643-V645 PolarHBondContact O-N 3.49Å; V645-N647 PolarHBondContact O-N 2.79Å; V645-G648 PolarHBondContact O-N 3Å
646	E	98	Very high	97.3	Very high	176 Å²	176	89.5 Å²	89.5	82%	0.822	54%	0.537	S	S	*	.	H	α-helix	trans	-59.3	-37.7	176.9	-176.2	175.7	-173.2	0	0	111.7	A642 A643 G648	A642-E646 WeakPolarHBondContact O-CB 3.45Å; A642-E646 PolarHBondContact O-N 3.23Å; A643-E646 PolarHBondContact O-N 2.82Å; E646-G648 VanDerWaalsContact C-N 3.34Å
647	N	97.9	Very high	97.1	Very high	93 Å²	93	88.3 Å²	88.3	50%	0.497	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-13.4	176.6	-170.8	66.8	0	0	0	113.9	A643 V645 G649 P650 V651	A643-N647 WeakPolarHBondContact O-CB 3.38Å; A643-N647 PolarHBondContact O-N 3.21Å; V645-N647 PolarHBondContact O-N 2.79Å; N647-G649 PolarHBondContact ND2-O 3.21Å; N647-G649 VanDerWaalsContact ND2-O 3.11Å; N647-G649 PolarHBondContact O-N 3.31Å; N647-P650 PolarHBondContact ND2-O 2.93Å; N647-V651 HydrophobicContact CB-CG2 4.13Å
648	G	97.4	Very high	96.7	Very high	75 Å²	75	95.1 Å²	95.1	77%	0.773	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.2	18.3	-174	0	0	0	0	0	114.7	V644 V645 E646	V644-G648 PolarHBondContact O-N 2.87Å; V644-G648 VanDerWaalsContact O-N 3.09Å; V645-G648 PolarHBondContact O-N 3Å; E646-G648 VanDerWaalsContact C-N 3.34Å
649	G	94.9	Very high	96.6	Very high	19 Å²	19	94.8 Å²	94.8	20%	0.196	58%	0.582	C	S	.	*	S	Bend	trans	167.7	-175.2	-174.8	0	0	0	0	0	113.3	V644 N647 V651	V644-G649 PolarHBondContact O-N 3.39Å; N647-G649 PolarHBondContact ND2-O 3.21Å; N647-G649 VanDerWaalsContact ND2-O 3.11Å; N647-G649 PolarHBondContact O-N 3.31Å; G649-V651 PolarHBondContact O-N 3.08Å
650	P	96.5	Very high	96.6	Very high	113 Å²	113	95.5 Å²	95.5	73%	0.734	58%	0.582	S	S	*	*			trans	-52.2	128.8	175.7	-24.9	34.5	0	0	0	111.8	N647	N647-P650 PolarHBondContact ND2-O 2.93Å
651	V	97.5	Very high	96.5	Very high	72 Å²	72	94.7 Å²	94.7	44%	0.436	58%	0.583	S	S	.	*	S	Bend	trans	-73.1	-46.4	-175.5	-179	0	0	0	0	112.8	A643 V644 N647 G649	A643-V651 HydrophobicContact CB-CG2 3.88Å; A643-V651 WeakPolarHBondContact O-CG2 3.24Å; V644-V651 HydrophobicContact CG2-CG2 4.12Å; N647-V651 HydrophobicContact CB-CG2 4.13Å; G649-V651 PolarHBondContact O-N 3.08Å
652	P	97.1	Very high	96.4	Very high	102 Å²	102	96.1 Å²	96.1	66%	0.662	59%	0.589	S	S	*	*	S	Bend	trans	-66.5	133	179.4	-19.2	33.8	0	0	0	110
653	P	95.2	Very high	96.3	Very high	97 Å²	97	98.6 Å²	98.6	63%	0.63	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-64.7	169.6	169.6	30.6	-35.2	0	0	0	110
654	H	96.3	Very high	96.1	Very high	112 Å²	112	102.6 Å²	102.6	52%	0.519	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-51.9	144.4	166.4	-173.8	-100.1	0	0	0	109.7	L656 G657	H654-L656 WeakPolarHBondContact ND1-CB 3.45Å; H654-L656 PolarHBondContact ND1-N 3.21Å; H654-L656 PolarHBondContact O-N 3.31Å; H654-G657 PolarHBondContact O-N 3.25Å
655	P	97.4	Very high	96	Very high	125 Å²	125	105.9 Å²	105.9	81%	0.812	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.3	-16.3	-178.6	-29.9	37.1	0	0	0	115.8
656	L	96.2	Very high	95.8	Very high	116 Å²	116	105.7 Å²	105.7	61%	0.607	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-8.6	173.7	-59.2	177.7	0	0	0	114	H654 F658	H654-L656 WeakPolarHBondContact ND1-CB 3.45Å; H654-L656 PolarHBondContact ND1-N 3.21Å; H654-L656 PolarHBondContact O-N 3.31Å; L656-F658 VanDerWaalsContact C-N 3.34Å; L656-F658 HydrophobicContact CB-CD1 4.38Å; L656-F658 HydrophobicContact CB-CE1 4.01Å; L656-F658 HydrophobicContact CB-CZ 4.16Å; L656-F658 HydrophobicContact CD1-CZ 4.38Å; L656-F658 WeakPolarHBondContact O-CD1 3.46Å
657	G	92.9	Very high	95.6	Very high	57 Å²	57	99.8 Å²	99.8	59%	0.588	62%	0.617	S	S	*	*			trans	80.9	6	179.3	0	0	0	0	0	115.5	H654	H654-G657 PolarHBondContact O-N 3.25Å
658	F	88.4	Confident	95.4	Very high	217 Å²	217	100.5 Å²	100.5	95%	0.952	63%	0.628	S	S	*	*			trans	-147.1	0	173.8	57.2	-93.6	0	0	0	111.7	L656	L656-F658 VanDerWaalsContact C-N 3.34Å; L656-F658 HydrophobicContact CB-CD1 4.38Å; L656-F658 HydrophobicContact CB-CE1 4.01Å; L656-F658 HydrophobicContact CB-CZ 4.16Å; L656-F658 HydrophobicContact CD1-CZ 4.38Å; L656-F658 WeakPolarHBondContact O-CD1 3.46Å

Retrieved 658 of 658 residues in 553.8 ms (Link to these results)

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